Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride
Basic information
- CAS
5220-94-0- Standard SMILES
C#CC[NH+](C)Cc1ccccc1Cl.[Cl-]- InChIKey
ODDKTLPZJHMKMI-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2N
- Average molar mass
- 230.13 g/mol
- Monoisotopic mass
- 229.0425048
Names & identifiers
- Preferred name
- Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochloride
- IUPAC
- (2-chlorophenyl)methyl-methyl-prop-2-ynylazanium chloride
Names & synonyms
Benzenemethanamine, 2-chloro-N-methyl-N-2-propynyl-, hydrochlorideRefChem:1078493N-(o-Chlorobenzyl)-N-methyl-2-propynylamine hydrochloride5220-94-0Chlorzymine hydrochlorideo-Chloro-N-methyl-N-2-propynylbenzylamine hydrochloride(2-chlorophenyl)methyl-methyl-prop-2-ynylazanium;chlorideBENZYLAMINE, o-CHLORO-N-METHYL-N-2-PROPYNYL-, HYDROCHLORIDE
Database identifiers
- CAS
5220-94-0- PubChem CID
- 21285
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
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Compound notes
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