N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride
Basic information
- CAS
23426-14-4- Standard SMILES
COc1ccc(C[NH+](CCCl)CCCl)cc1Cl.[Cl-]- InChIKey
MLRCMDAXWPGTRO-UHFFFAOYSA-N- Molecular formula
- C12H17Cl4NO
- Average molar mass
- 333.1 g/mol
- Monoisotopic mass
- 331.006425
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride
- IUPAC
- bis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium chloride
Names & synonyms
N,N-Bis(2-chloroethyl)-3-chloro-4-methoxybenzylamine hydrochloride23426-14-44-Methoxy-5-chlorobenzyl-bis-(beta-chloroethyl) amine hydrochlorideBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-CHLORO-4-METHOXY-, HYDROCHLORIDEbis(2-chloroethyl)-[(3-chloro-4-methoxyphenyl)methyl]azanium;chloride
Database identifiers
- CAS
23426-14-4- PubChem CID
- 31901
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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