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Butanal, Reaction Products With Aniline
| Flow Object ID | fo-478929168730981f | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 68411-20-1 | ||||
| EC Numbers | 270-109-8 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
AWQDEOGKJWZKBI-UHFFFAOYSA-O, SRGBNANKQPZXFZ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C15H17N3.C12H10BO5/c1-11-7-3-5-9-13(11)18(15(16)17)14-10-6-4-8-12(14)2;14-9-5-1-3-7-11(9)17-13(16)18-12-8-4-2-6-10(12)15/h3-10H,1-2H3,(H3,16,17);1-8,14-15H/q;-1/p+1, InChI=1S/C6H7N.C4H8O/c7-6-4-2-1-3-5-6;1-2-3-4-5/h1-5H,7H2;4H,2-3H2,1H3
|
| IUPAC name |
amidino(bis-o-tolyl)ammonium;bis(2-hydroxyphenoxy)borinate, aniline;butanal, bis(2-hydroxyphenoxy)borinate;carbamimidoyl(bis-o-tolyl)ammonium, bis(2-hydroxyphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)ammonium, bis(2-hydroxyphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)azanium, bis(2-oxidanylphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)azanium, butyraldehyde;phenylamine
|
| Molecular formula |
C10H15NO, C27H28BN3O5
|
| SMILES |
B([O-])(OC1=CC=CC=C1O)OC2=CC=CC=C2O.CC1=CC=CC=C1[NH+](C2=CC=CC=C2C)C(=N)N, CCCC=O.C1=CC=C(C=C1)N
|
References
- https://commonchemistry.cas.org/detail?cas_rn=68411-20-1
- https://commonchemistry.cas.org/detail?cas_rn=9003-37-6
- https://pubchem.ncbi.nlm.nih.gov/compound/163221
- https://pubchem.ncbi.nlm.nih.gov/compound/90474822
- https://www.wikidata.org/wiki/Q72513769
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
9032990e… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 1 |
727916bb… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
e3337553… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 1 |
b06f73f2… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 1 |
ab6c2710… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
bcc341e8… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 1 |
ef2aff9a… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 1 |
10a1b95f… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 1 |
4f8062e8… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 1 |
578406f0… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 1 |
ba0c5bca… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
10a1b95f… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
4f8062e8… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
578406f0… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
68ea8050… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
727916bb… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
9032990e… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
ab6c2710… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
b06f73f2… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
ba0c5bca… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
bcc341e8… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
e3337553… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
ef2aff9a… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
f78d55f7… |
cas_match_labels |
— |
{"68411-20-1":"exactMatch"} |
group_key=butanal,reactionproductswithaniline||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68411-20-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-478929168730981f: {'68411-20-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-478929168730981f",
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"@language": "en",
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"CCCC=O.C1=CC=C(C=C1)N"
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},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
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"amidino(bis-o-tolyl)ammonium;bis(2-hydroxyphenoxy)borinate",
"aniline;butanal",
"bis(2-hydroxyphenoxy)borinate;carbamimidoyl(bis-o-tolyl)ammonium",
"bis(2-hydroxyphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)ammonium",
"bis(2-hydroxyphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)azanium",
"bis(2-oxidanylphenoxy)borinate;carbamimidoyl-bis(2-methylphenyl)azanium",
"butyraldehyde;phenylamine"
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"seed_uuid": "10a1b95f-e751-4768-8c8f-b832a53a20b3",
"seed_source": "EF 3.1"
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