1-Hexylamine, N,N-bis(2-chloroethyl)-
Basic information
- CAS
99862-87-0- Standard SMILES
CCCCCCN(CCCl)CCCl- InChIKey
ZSYVIRPDAUGJNV-UHFFFAOYSA-N- Molecular formula
- C10H21Cl2N
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 225.1051051
Names & identifiers
- Preferred name
- 1-Hexylamine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)hexan-1-amine
Names & synonyms
99862-87-01-HEXYLAMINE, N,N-BIS(2-CHLOROETHYL)-DTXSID70244277RefChem:1055560DTXCID70166768N,N-bis(2-chloroethyl)hexan-1-amineN-Hexyl-bis(2-chloroethyl)amineN,N-Bis(2-chloroethyl)-1-hexylamineBRN 1743344A1-06093
Database identifiers
- CAS
99862-87-0- PubChem CID
- 57550
- DTXSID
DTXSID70244277- Nikkaji
- J77.680G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 92.9
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Compound notes
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