Benzylamine, N,N-bis(2-chloroethyl)-4-nitro-, hydrochloride
Basic information
- CAS
40136-95-6- Standard SMILES
O=[N+]([O-])c1ccc(C[NH+](CCCl)CCCl)cc1.[Cl-]- InChIKey
JDIDLDRXEFSBCW-UHFFFAOYSA-N- Molecular formula
- C11H15Cl3N2O2
- Average molar mass
- 313.6 g/mol
- Monoisotopic mass
- 312.019911
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-chloroethyl)-4-nitro-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-[(4-nitrophenyl)methyl]azanium chloride
Names & synonyms
N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride40136-95-6BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-NITRO-, HYDROCHLORIDERefChem:328794bis(2-chloroethyl)-[(4-nitrophenyl)methyl]azanium;chloride
Database identifiers
- CAS
40136-95-6- PubChem CID
- 38402
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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