Basic information
- CAS
31698-46-1- Standard SMILES
CCCCCCCCCCCC(C)N.O=C(O)CCCCC(=O)O- InChIKey
KSSLXPBOOBFKAE-UHFFFAOYSA-N- Molecular formula
- C19H39NO4
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.28790873
Overview
used in surgical scrub; contains 2-aminotridecane hydroadipate 0.85 g, spirits (ethanol) 95% 70.58 g, & demineralized water to 100 ml
Names & identifiers
- Preferred name
- Hexanedioic acid, compd. with 2-tridecanamine (1:1)
- IUPAC
- hexanedioic acid;tridecan-2-amine
- English name
- adipic acid, compound with 1-methyldodecylamine (1:1)
- Molecular formula
- C13H29N.C6H10O4
- Molecular weight
- 345.52
Names & synonyms
Decidin31698-46-1tridecanamine adipate7955Z6F07HRefChem:131312250-767-2hexanedioic acid;tridecan-2-amineUNII-7955Z6F07HEINECS 250-767-2adipic acid, compound with 1-methyldodecylamine (1Adipic acid, compound with 1-methyldodecylamine (1:1)DTXSID70953650
Show more names
TRIDECANAMINE ADIPATE [WHO-DD]Hexanedioic acid--tridecan-2-amine (1/1)NS000515372-TRIDECANAMINE, HEXANEDIOATE (1:1)Q27266718
Database identifiers
- CAS
31698-46-1- PubChem CID
- 160211
- DTXSID
DTXSID70953650- UNII
- 7955Z6F07H
- EC Number
- 250-767-2
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- FDA UNII
- 7955 Z6F07H · 7955Z6F07H
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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