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Basic information
- CAS
1138-79-0- Standard SMILES
ClCCN(CCCl)CCc1ccccc1- InChIKey
NSYROPDQXYIHMF-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N
- Average molar mass
- 246.17 g/mol
- Monoisotopic mass
- 245.0738049
Names & identifiers
- Preferred name
- Phenethylamine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)-2-phenylethanamine
Names & synonyms
N,N-Bis(2-chloroethyl)phenethylamineN,N-Bis(2-chloroethyl)benzeneethanaminePhenethylamine, N,N-bis(2-chloroethyl)-N-Phenethyl-N,N-di-2-chloroethylamineNSC 108713BRN 2724152Benzeneethanamine, N,N-bis(2-chloroethyl)-Triethylamine, 2,2'-dichloro-2''-phenyl-DTXSID601505554-12-00-02455 (Beilstein Handbook Reference)RefChem:368729DTXCID9073046
Show more names
Benzeneethanamine, N,N-bis(2-chloroethyl)-(9CI)1138-79-0NSC108713WLN: G2N2G2RSCHEMBL4269278Phenethylamine,N-bis(2-chloroethyl)-NSC-108713Triethylamine,2'-dichloro-2''-phenyl-
Database identifiers
- CAS
1138-79-0- PubChem CID
- 97254
- DTXSID
DTXSID60150555- Nikkaji
- J71.119E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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