Benzenepropanamine, N,N-bis(2-chloroethyl)-
Basic information
- CAS
100620-68-6- Standard SMILES
ClCCN(CCCl)CCCc1ccccc1- InChIKey
APMORDWSEGHCAQ-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2N
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 259.089455
Names & identifiers
- Preferred name
- Benzenepropanamine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine
Names & synonyms
Benzenepropanamine, N,N-bis(2-chloroethyl)-100620-68-6DTXSID90329272RefChem:325107DTXCID30280373N,N-bis(2-chloroethyl)-3-phenylpropan-1-amineSCHEMBL4264980benzene, [2-N,N-bis(2-chloroethyl)]aminopropyl-
Database identifiers
- CAS
100620-68-6- PubChem CID
- 418981
- DTXSID
DTXSID90329272
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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