Registration Dossier
Registration Dossier
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EC number: 254-754-2 | CAS number: 40027-38-1
Reference substances
- IUPAC name:
- oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine
Inventory
- EC number:
- 254-754-2
- EC name:
- Oleic acid, compound with (Z)-N-octadec-9-enylpropane-1,3-diamine
- CAS number:
- 40027-38-1
- CAS number:
- 40027-38-1
Synonyms
- Names:
- 9-Octadecenoic acid (9Z)-, compd. with N-(9Z)-9-octadecenyl-1,3-propanediamine
- 9-Octadecenoic acid (Z)-, compd. with (Z)-N-9-octadecenyl-1,3-propanediamine
- Identifier:
- IUPAC name
- octadec-9-enoic acid - N-octadec-9-en-1-ylpropane-1,3-diamine (1:1)
- Identifier:
- other: Molecular formula
- C21H44N2.xC18H34O2
- Identifier:
- other: SMILES notation
- CCCCCCCC\C=C/CCCCCCCCNCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O
- Identifier:
- other: InChl
- InChI=1/C21H44N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)
- N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium di[(9Z)-octadec-9-enoate] (1:1)
Molecular and structural information
- Molecular formula:
- C21H44N2xC18H34O2
- Molecular weight:
- ca. 607
- SMILES notation:
- CCCCCCCC/C=C\CCCCCCCCNCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O
- InChl:
- InChI=1S/C21H44N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9-
- Structural formula:
Related substances
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