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Registration Dossier
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EC number: 915-790-0 | CAS number: -
Reference substances
- IUPAC name:
- ß-Alanine, N-(2-carboxyethyl)-, N-coco alkyl derivs.
Inventory
- EC number:
- 308-920-7
- EC name:
- β-Alanine, N-(2-carboxyethyl)-, N-coco alkyl derivs.
- CAS number:
- 99035-54-8
- CAS number:
- 99035-54-8
Synonyms
- Names:
- Identifier:
- IUPAC name
- β-Alanine, N-(2-carboxyethyl)-, N-coco alkyl derivs.
- Identifier:
- IUPAC name
- β-Alanine, N-(2-carboxyethyl)-, N-coco alkyl derivs.
- Identifier:
- other: Molecular formula
- C12: C18H35NO4 C14: C20H39NO4 C16: C22H43NO4 C18: C24H47NO4 C18': C24H45NO4
Molecular and structural information
- Molecular formula:
- Not available
- Molecular weight:
- >= 329 - <= 413
- SMILES notation:
- C12: O=C(O)CCN(CCCCCCCCCCCC)CCC(=O)O
C14: O=C(O)CCN(CCCCCCCCCCCCCC)CCC(=O)O
C16: O=C(O)CCN(CCCCCCCCCCCCCCCC)CCC(=O)O
C18: O=C(O)CCN(CCCCCCCCCCCCCCCCCC)CCC(=O)O
C18': O=C(O)CCN(CCCCCC\C=C\CCCCCCCCCC)CCC(=O)O - InChl:
- C12: InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
C14: InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(17-14-19(22)23)18-15-20(24)25/h2-18H2,1H3,(H,22,23)(H,24,25)
C16: InChI=1S/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(19-16-21(24)25)20-17-22(26)27/h2-20H2,1H3,(H,24,25)(H,26,27)
C18: InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29/h2-22H2,1H3,(H,26,27)(H,28,29)
C18': InChI=1S/C24H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29/h11-12H,2-10,13-22H2,1H3,(H,26,27)(H,28,29)/b12-11+ - Structural formula:
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