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Mechlorethamine Oxide

UUID 08a91e70-3ddc-11dd-9dea-0050c2490048
Flow Object IDfo-fc84f133f2cb0276
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 126-85-2
prefLabel
Language Value Provenance
en Mechlorethamine Oxide
altLabel ⓘ
Language Value Provenance
en 2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide
en 2-Chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methylethanamine oxide
en Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, <em>N</em>-oxide
en Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, <em>N</em>-oxide
en HN<sub>2</sub> Oxide mustard
en MBAO
en Methylbis(β-chloroethyl)amine <em>N</em>-oxide
en NMO
en NSC 141949
en Nitrogen mustard <em>N</em>-oxide
en Nitrogen mustard oxide
en Oxy-NH2
en Nitrogen Mustard N-oxide
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AFLXUQUGROGEFA-UHFFFAOYSA-N
InChI InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3
IUPAC name 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine oxide, 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine oxide, 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
Molecular formula C5H11Cl2NO
Molecular mass 172.055
Monoisotopic mass 171.02177
SMILES CN(=O)(CCCl)CCCl, C[N+](CCCl)(CCCl)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9dea-0050c2490048 nitrogen mustard n-oxide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 nitrogen mustard n-oxide Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=126-85-2; added Common Chemistry CAS names as altLabel: 2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide, 2-Chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methylethanamine oxide, Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, <em>N</em>-oxide, Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, <em>N</em>-oxide, HN<sub>2</sub> Oxide mustard, MBAO, Mechlorethamine oxide, Methylbis(β-chloroethyl)amine <em>N</em>-oxide, NMO, NSC 141949, Nitrogen mustard <em>N</em>-oxide, Nitrogen mustard oxide, Oxy-NH2; object_uuid=fo-fc84f133f2cb0276
cas_match_labels 1 — consensus_match group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'126-85-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc84f133f2cb0276: {'126-85-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methylethanamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HN<sub>2</sub> Oxide mustard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MBAO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mechlorethamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylbis(β-chloroethyl)amine <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NMO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 141949', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrogen mustard <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nitrogen mustard oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Oxy-NH2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126-85-2', 'https://commonchemistry.cas.org/detail?cas_rn=126-85-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=126-85-2; added Common Chemistry CAS names as altLabel: 2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide, 2-Chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methylethanamine oxide, Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, <em>N</em>-oxide, Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, <em>N</em>-oxide, HN<sub>2</sub> Oxide mustard, MBAO, Mechlorethamine oxide, Methylbis(β-chloroethyl)amine <em>N</em>-oxide, NMO, NSC 141949, Nitrogen mustard <em>N</em>-oxide, Nitrogen mustard oxide, Oxy-NH2; object_uuid=fo-fc84f133f2cb0276
cas_match_labels None {'126-85-2': 'exactMatch'} group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'126-85-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc84f133f2cb0276: {'126-85-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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