1,1'-(Nitrosoimino)bis(2-propanone)

UUID fe0acd60-3ddc-11dd-ae00-0050c2490048

Flow Object ID fo-25bc6702723ebf7e

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 60599-38-4

prefLabel

Language	Value	Provenance
`en`	`1,1'-(Nitrosoimino)bis(2-propanone)`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,2'-dioxo-di-n-propylnitrosamine`
`en`	`2,2'-dioxopropyl-N-propylnitrosamine`
`en`	`BOP`
`en`	`N,N-bis(2-oxopropyl)nitrous amide`
`en`	`N,N-di(2-oxopropyl)nitrosamine`
`en`	`N-nitroso-N,N-di(2-oxypropyl)amine`
`en`	`bis-(2-oxopropyl)-N-nitrosamine`
`en`	`nitrosobis(2-oxopropyl)amine`
`en`	`1,1′-(Nitrosoimino)bis[2-propanone]`
`en`	`2-Propanone, 1,1′-(nitrosoimino)bis-`
`en`	`<em>N</em>-Nitrosobis(2-oxopropyl)amine`
`en`	`Bis(2-oxopropyl)-<em>N</em>-nitrosamine`
`en`	`Bis(2-oxopropyl)nitrosamine`
`en`	`N-nitrosobis(2-oxopropyl)amine`

Definitions

Language	Value	Provenance
`en`	A nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible).

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`AKRYBBWYDSDZHG-UHFFFAOYSA-N`
InChI	`InChI=1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3`
IUPAC name	`N,N-bis(2-oxidanylidenepropyl)nitrous amide, N,N-bis(2-oxopropyl)nitrous amide, N,N-diacetonylnitrous amide`
Molecular formula	`C6H10N2O3`
Molecular mass	`158.157`
Monoisotopic mass	`158.06914`
SMILES	`CC(=O)CN(CC(=O)C)N=O, CC(=O)CN(CC(C)=O)N=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fe0acd60-3ddc-11dd-ae00-0050c2490048`	n-nitrosobis(2-oxopropyl)amine

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	n-nitrosobis(2-oxopropyl)amine	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=n-nitrosobis(2-oxopropyl)amine\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=60599-38-4; added Common Chemistry CAS names as altLabel: 1,1′-(Nitrosoimino)bis[2-propanone], 2-Propanone, 1,1′-(nitrosoimino)bis-, <em>N</em>-Nitrosobis(2-oxopropyl)amine, Bis(2-oxopropyl)-<em>N</em>-nitrosamine, Bis(2-oxopropyl)nitrosamine; object_uuid=fo-25bc6702723ebf7e
`cas_match_labels`	1	`—`	consensus_match	group_key=n-nitrosobis(2-oxopropyl)amine\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'60599-38-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25bc6702723ebf7e: {'60599-38-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': "2,2'-dioxo-di-n-propylnitrosamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,2'-dioxo-di-n-propylnitrosamine", 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2,2'-dioxopropyl-N-propylnitrosamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,2'-dioxopropyl-N-propylnitrosamine", 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BOP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BOP', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-bis(2-oxopropyl)nitrous amide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-bis(2-oxopropyl)nitrous amide', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-di(2-oxopropyl)nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-di(2-oxopropyl)nitrosamine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-nitroso-N,N-di(2-oxypropyl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-nitroso-N,N-di(2-oxypropyl)amine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis-(2-oxopropyl)-N-nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis-(2-oxopropyl)-N-nitrosamine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nitrosobis(2-oxopropyl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nitrosobis(2-oxopropyl)amine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': "2,2'-dioxo-di-n-propylnitrosamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,2'-dioxo-di-n-propylnitrosamine", 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2,2'-dioxopropyl-N-propylnitrosamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,2'-dioxopropyl-N-propylnitrosamine", 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BOP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BOP', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-bis(2-oxopropyl)nitrous amide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-bis(2-oxopropyl)nitrous amide', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-di(2-oxopropyl)nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-di(2-oxopropyl)nitrosamine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-nitroso-N,N-di(2-oxypropyl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-nitroso-N,N-di(2-oxypropyl)amine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis-(2-oxopropyl)-N-nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis-(2-oxopropyl)-N-nitrosamine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nitrosobis(2-oxopropyl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nitrosobis(2-oxopropyl)amine', 'http://purl.obolibrary.org/obo/CHEBI_134609', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1′-(Nitrosoimino)bis[2-propanone]', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60599-38-4', 'https://commonchemistry.cas.org/detail?cas_rn=60599-38-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Propanone, 1,1′-(nitrosoimino)bis-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60599-38-4', 'https://commonchemistry.cas.org/detail?cas_rn=60599-38-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Nitrosobis(2-oxopropyl)amine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60599-38-4', 'https://commonchemistry.cas.org/detail?cas_rn=60599-38-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-oxopropyl)-<em>N</em>-nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60599-38-4', 'https://commonchemistry.cas.org/detail?cas_rn=60599-38-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-oxopropyl)nitrosamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60599-38-4', 'https://commonchemistry.cas.org/detail?cas_rn=60599-38-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=n-nitrosobis(2-oxopropyl)amine\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=60599-38-4; added Common Chemistry CAS names as altLabel: 1,1′-(Nitrosoimino)bis[2-propanone], 2-Propanone, 1,1′-(nitrosoimino)bis-, <em>N</em>-Nitrosobis(2-oxopropyl)amine, Bis(2-oxopropyl)-<em>N</em>-nitrosamine, Bis(2-oxopropyl)nitrosamine; object_uuid=fo-25bc6702723ebf7e
`cas_match_labels`	`None`	`{'60599-38-4': 'exactMatch'}`	group_key=n-nitrosobis(2-oxopropyl)amine\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'60599-38-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-25bc6702723ebf7e: {'60599-38-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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