Basic information
- CAS
77905-55-6- Standard SMILES
CC(C)COc1ccc(C[NH+](CCCl)CCCl)cc1[N+](=O)[O-].[Cl-]- InChIKey
RRJXTGISAAARIH-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-isobutoxy-3-nitro-, hydrochloride
- IUPAC
- bis(2-chloroethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azanium chloride
Names & synonyms
4-Isobutoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride77905-55-6N,N-Bis(2-chloroethyl)-4-isobutoxy-3-nitro-benzylamine hydrochlorideBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-ISOBUTOXY-3-NITRO-, HYDROCHLORIDERefChem:328792
Database identifiers
- CAS
77905-55-6- PubChem CID
- 53829
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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