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Isopropalin

UUID fe0acd60-3ddc-11dd-adfb-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-adfc-0050c2490048
Flow Object IDfo-32da467988fd5d4e
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 33820-53-0
EC Numbers 251-690-7
prefLabel
Language Value Provenance
en Isopropalin
altLabel ⓘ
Language Value Provenance
en 4-(1-Methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylbenzenamine
en 4-Isopropyl-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylaniline
en Benzenamine, 4-(1-methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-
en Cumidine, 2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-
en EL 179
en Paarlan
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NEKOXWSIMFDGMA-UHFFFAOYSA-N
InChI InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3
IUPAC name (4-isopropyl-2,6-dinitro-phenyl)-dipropyl-amine, 2,6-dinitro-4-propan-2-yl-N,N-dipropyl-aniline, 2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline, 4-isopropyl-2,6-dinitro-N,N-dipropyl-aniline
Molecular formula C15H23N3O4
Molecular mass 309.366
Monoisotopic mass 309.16886
SMILES CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(C)C)[N+](=O)[O-], CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-adfb-0050c2490048 isopropalin

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=isopropalin||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=33820-53-0; added Common Chemistry CAS names as altLabel: 4-(1-Methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylbenzenamine, 4-Isopropyl-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylaniline, Benzenamine, 4-(1-methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, Cumidine, 2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, EL 179, Paarlan; object_uuid=fo-32da467988fd5d4e
cas_match_labels 1 — consensus_match group_key=isopropalin||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'33820-53-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32da467988fd5d4e: {'33820-53-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-(1-Methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylbenzenamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Isopropyl-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylaniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenamine, 4-(1-methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cumidine, 2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'EL 179', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Paarlan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:33820-53-0', 'https://commonchemistry.cas.org/detail?cas_rn=33820-53-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isopropalin||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=33820-53-0; added Common Chemistry CAS names as altLabel: 4-(1-Methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylbenzenamine, 4-Isopropyl-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylaniline, Benzenamine, 4-(1-methylethyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, Cumidine, 2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, EL 179, Paarlan; object_uuid=fo-32da467988fd5d4e
cas_match_labels None {'33820-53-0': 'exactMatch'} group_key=isopropalin||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'33820-53-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-32da467988fd5d4e: {'33820-53-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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