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Nonane-1,9-diamine

UUID bf6ca895-8cfc-4d7a-8b53-35ab99ce184a
Deprecated yes
Replaced By 2f40562e-4b60-43e9-a6ef-92c8a2afee0a
Flow Object IDfo-9836ee33d4713f06
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 646-24-2
EC Numbers 211-470-3
prefLabel
Language Value Provenance
en Nonane-1,9-diamine
altLabel ⓘ
Language Value Provenance
en 1,9-Diaminononane
en 1,9-Nonamethylenediamine
en 1,9-Nonanediamine
en Nonamethylenediamine
References
Shared Properties
Predicate Value
InChIKey JDJDVENIGIFHAG-WNHSNXHDSA-N, SXJVFQLYZSNZBT-UHFFFAOYSA-N
InChI InChI=1S/C22H32O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h13,16-18,26H,3-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1, InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2
IUPAC name 3-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid, 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid, 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propionic acid, 9-aminononylamine, nonane-1,9-diamine
Molecular formula C22H32O4, C9H22N2
SMILES C(CCCCN)CCCCN, CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(CCC(=O)O)O)C, C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)O)O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 bf6ca895-8cfc-4d7a-8b53-35ab99ce184a nonane-1,9-diamine

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=nonane-1,9-diamine||dimension=Environmental > media=Ground > geography=Agricultural; cas=646-24-2; added Common Chemistry CAS names as altLabel: 1,9-Diaminononane, 1,9-Nonamethylenediamine, 1,9-Nonanediamine, Nonamethylenediamine; object_uuid=fo-9836ee33d4713f06
cas_match_labels 1 — consensus_match group_key=nonane-1,9-diamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'646-24-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9836ee33d4713f06: {'646-24-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,9-Diaminononane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:646-24-2', 'https://commonchemistry.cas.org/detail?cas_rn=646-24-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,9-Nonamethylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:646-24-2', 'https://commonchemistry.cas.org/detail?cas_rn=646-24-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,9-Nonanediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:646-24-2', 'https://commonchemistry.cas.org/detail?cas_rn=646-24-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nonamethylenediamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:646-24-2', 'https://commonchemistry.cas.org/detail?cas_rn=646-24-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=nonane-1,9-diamine||dimension=Environmental > media=Ground > geography=Agricultural; cas=646-24-2; added Common Chemistry CAS names as altLabel: 1,9-Diaminononane, 1,9-Nonamethylenediamine, 1,9-Nonanediamine, Nonamethylenediamine; object_uuid=fo-9836ee33d4713f06
cas_match_labels None {'646-24-2': 'exactMatch'} group_key=nonane-1,9-diamine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'646-24-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9836ee33d4713f06: {'646-24-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid",
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