Benzylamine, N,N-bis(2-chloroethyl)-4-propoxy-3-nitro-, hydrochloride
Basic information
- CAS
77905-53-4- Standard SMILES
CCCOc1ccc(C[NH+](CCCl)CCCl)cc1[N+](=O)[O-].[Cl-]- InChIKey
JPRJPOPXYBVDDK-UHFFFAOYSA-N- Molecular formula
- C14H21Cl3N2O3
- Average molar mass
- 371.7 g/mol
- Monoisotopic mass
- 370.061776
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-chloroethyl)-4-propoxy-3-nitro-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-[(3-nitro-4-propoxyphenyl)methyl]azanium chloride
Names & synonyms
4-Propoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride77905-53-4N,N-Bis(2-chloroethyl)-4-propoxy-3-nitro-benzylamine hydrochlorideBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-PROPOXY-3-NITRO-, HYDROCHLORIDERefChem:328795
Database identifiers
- CAS
77905-53-4- PubChem CID
- 53825
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…