← Back to consensus flow objects
N-Bromoacetamide
| Flow Object ID | fo-d5f12b8beb4f5b4e | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||||||||
| prefLabel |
|
|||||||||||||||
| Alt Labels |
|
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| CAS Numbers | 79-15-2 | |||||||||||||||
| EC Numbers | 201-181-0 | |||||||||||||||
| Changes Applied | 10 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
GIAGDEKSOVTMFZ-UHFFFAOYSA-N, JUIKUQOUMZUFQT-UHFFFAOYSA-N, URALNCAFCAQWHI-UHFFFAOYSA-N, VBTQNRFWXBXZQR-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C2H4BrNO.H2O/c1-2(5)4-3;/h1H3,(H,4,5);1H2, InChI=1S/C2H4BrNO/c1-2(5)4-3/h1H3,(H,4,5), InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5), InChI=1S/C9H22N2O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-9H2,1-4H3
|
| IUPAC name |
2-[2-(dimethylamino)ethoxymethoxy]-N,N-dimethyl-ethanamine, 2-[2-(dimethylamino)ethoxymethoxy]-N,N-dimethylethanamine, 2-[2-(dimethylamino)ethoxymethoxy]ethyl-dimethyl-amine, 2-bromanylethanamide, 2-bromoacetamide, N-bromanylethanamide, N-bromanylethanamide;hydrate, N-bromoacetamide, N-bromoacetamide;hydrate
|
| Molecular formula |
C2H4BrNO, C2H6BrNO2, C9H22N2O2
|
| SMILES |
C(C(=O)N)Br, CC(=O)NBr, CC(=O)NBr.O, CN(C)CCOCOCCN(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.196C
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.228E
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.833A
- https://chem.echa.europa.eu/100.001.074
- https://chem.echa.europa.eu/100.048.442
- https://chem.echa.europa.eu/100.124.025
- https://commonchemistry.cas.org/detail?cas_rn=683-57-8
- https://commonchemistry.cas.org/detail?cas_rn=79-15-2
- https://comptox.epa.gov/dashboard/DTXSID3058456
- https://comptox.epa.gov/dashboard/DTXSID5024633
- https://comptox.epa.gov/dashboard/DTXSID6068016
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77371
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0AQ6MWH7ZB
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3G598E5OYA
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L9Y63RSR9K
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S2HYZ042S6
- https://pubchem.ncbi.nlm.nih.gov/compound/169843
- https://pubchem.ncbi.nlm.nih.gov/compound/4353
- https://pubchem.ncbi.nlm.nih.gov/compound/55212072
- https://pubchem.ncbi.nlm.nih.gov/compound/69632
- https://pubchem.ncbi.nlm.nih.gov/erg/#3261
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256514
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL60628
- https://www.wikidata.org/wiki/Q27236544
- https://www.wikidata.org/wiki/Q27288493
- https://www.wikidata.org/wiki/Q72451205
- https://www.wikidata.org/wiki/Q81994708
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
005df2f9… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 2 |
88de60b4… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
df121573… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 2 |
16a47d90… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 2 |
871e6a0a… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
005df2f9… |
altLabel |
— |
[{"@value":"<em>N</em>-Bromoacetamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetamide, <em>N</em>-bromo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetobromamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NBA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-15-2; added Common Chemistry CAS names as altLabel: <em>N</em>-Bromoacetamide, Acetamide, <em>N</em>-bromo-, Acetobromamide, NBA; object_uuid=fo-d5f12b8beb4f5b4e |
005df2f9… |
cas_match_labels |
— |
{"79-15-2":"exactMatch"} |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-15-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5f12b8beb4f5b4e: {'79-15-2': 'exactMatch'} |
16a47d90… |
altLabel |
— |
[{"@value":"<em>N</em>-Bromoacetamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetamide, <em>N</em>-bromo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetobromamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NBA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-15-2; added Common Chemistry CAS names as altLabel: <em>N</em>-Bromoacetamide, Acetamide, <em>N</em>-bromo-, Acetobromamide, NBA; object_uuid=fo-d5f12b8beb4f5b4e |
16a47d90… |
cas_match_labels |
— |
{"79-15-2":"exactMatch"} |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-15-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5f12b8beb4f5b4e: {'79-15-2': 'exactMatch'} |
871e6a0a… |
altLabel |
— |
[{"@value":"<em>N</em>-Bromoacetamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetamide, <em>N</em>-bromo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetobromamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NBA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-15-2; added Common Chemistry CAS names as altLabel: <em>N</em>-Bromoacetamide, Acetamide, <em>N</em>-bromo-, Acetobromamide, NBA; object_uuid=fo-d5f12b8beb4f5b4e |
871e6a0a… |
cas_match_labels |
— |
{"79-15-2":"exactMatch"} |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-15-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5f12b8beb4f5b4e: {'79-15-2': 'exactMatch'} |
88de60b4… |
altLabel |
— |
[{"@value":"<em>N</em>-Bromoacetamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetamide, <em>N</em>-bromo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetobromamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NBA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-15-2; added Common Chemistry CAS names as altLabel: <em>N</em>-Bromoacetamide, Acetamide, <em>N</em>-bromo-, Acetobromamide, NBA; object_uuid=fo-d5f12b8beb4f5b4e |
88de60b4… |
cas_match_labels |
— |
{"79-15-2":"exactMatch"} |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-15-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5f12b8beb4f5b4e: {'79-15-2': 'exactMatch'} |
df121573… |
altLabel |
— |
[{"@value":"<em>N</em>-Bromoacetamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetamide, <em>N</em>-bromo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Acetobromamide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NBA","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:79-15-2","https://commonchemistry.cas.org/detail?cas_rn=79-15-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-15-2; added Common Chemistry CAS names as altLabel: <em>N</em>-Bromoacetamide, Acetamide, <em>N</em>-bromo-, Acetobromamide, NBA; object_uuid=fo-d5f12b8beb4f5b4e |
df121573… |
cas_match_labels |
— |
{"79-15-2":"exactMatch"} |
group_key=n-bromoacetamide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-15-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d5f12b8beb4f5b4e: {'79-15-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-d5f12b8beb4f5b4e",
"prefLabel": [
{
"@value": "N-Bromoacetamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "<em>N</em>-Bromoacetamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
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"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "Acetamide, <em>N</em>-bromo-",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "Acetobromamide",
"@language": "en",
"@lang": "en",
"provenance": {
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],
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}
},
{
"@value": "NBA",
"@language": "en",
"@lang": "en",
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C2H4BrNO",
"C2H6BrNO2",
"C9H22N2O2"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"CID:55212072"
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
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"GIAGDEKSOVTMFZ-UHFFFAOYSA-N",
"JUIKUQOUMZUFQT-UHFFFAOYSA-N",
"URALNCAFCAQWHI-UHFFFAOYSA-N",
"VBTQNRFWXBXZQR-UHFFFAOYSA-N"
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
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"CC(=O)NBr",
"CC(=O)NBr.O",
"CN(C)CCOCOCCN(C)C"
],
"rdfs:label": "SMILES",
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"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)",
"InChI=1S/C9H22N2O2/c1-10(2)5-7-12-9-13-8-6-11(3)4/h5-9H2,1-4H3"
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},
"https://w3id.org/chemrof/IUPAC_name": {
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"2-[2-(dimethylamino)ethoxymethoxy]-N,N-dimethylethanamine",
"2-[2-(dimethylamino)ethoxymethoxy]ethyl-dimethyl-amine",
"2-bromanylethanamide",
"2-bromoacetamide",
"N-bromanylethanamide",
"N-bromanylethanamide;hydrate",
"N-bromoacetamide",
"N-bromoacetamide;hydrate"
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