[4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
Basic information
- CAS
3308-26-7- Standard SMILES
O=C(O)CCCc1ccc([NH+](CCCl)CCCl)cc1.[Cl-]- InChIKey
NAQNVOSSGCIIDH-UHFFFAOYSA-N- Molecular formula
- C14H20Cl3NO2
- Average molar mass
- 340.7 g/mol
- Monoisotopic mass
- 339.055962
Overview
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Names & identifiers
- Preferred name
- [4-(3-Carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
- IUPAC
- [4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)azanium chloride
Names & synonyms
[4-(3-carboxypropyl)phenyl]-bis(2-chloroethyl)azanium;chloride
Database identifiers
- CAS
3308-26-7- PubChem CID
- 18706
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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