Benzylamine, N,N-bis(2-chloroethyl)-4-butoxy-3-nitro-, hydrochloride
Basic information
- CAS
77905-54-5- Standard SMILES
CCCCOc1ccc(C[NH+](CCCl)CCCl)cc1[N+](=O)[O-].[Cl-]- InChIKey
IWECCKWDZGSVBV-UHFFFAOYSA-N- Molecular formula
- C15H23Cl3N2O3
- Average molar mass
- 385.7 g/mol
- Monoisotopic mass
- 384.077426
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-chloroethyl)-4-butoxy-3-nitro-, hydrochloride
- IUPAC
- (4-butoxy-3-nitrophenyl)methyl-bis(2-chloroethyl)azanium chloride
Names & synonyms
4-Butoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochlorideN,N-Bis(2-chloroethyl)-4-butoxy-3-nitro-benzylamine hydrochlorideBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-BUTOXY-3-NITRO-, HYDROCHLORIDE77905-54-5RefChem:328790
Database identifiers
- CAS
77905-54-5- PubChem CID
- 53827
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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