N-(1-Phenylethyl)-2-(propylamino)propanimidic acid--hydrogen chloride (1/1)
Basic information
- CAS
23517-09-1- Standard SMILES
CCCNC(C)C(=O)NC(C)c1ccccc1.Cl- InChIKey
GSRTZUYJWPVGTG-UHFFFAOYSA-N- Molecular formula
- C14H23ClN2O
- Average molar mass
- 270.8 g/mol
- Monoisotopic mass
- 270.1498911
Names & identifiers
- Preferred name
- N-(1-Phenylethyl)-2-(propylamino)propanimidic acid--hydrogen chloride (1/1)
- IUPAC
- N-(1-phenylethyl)-2-(propylamino)propanamide;hydrochloride
Names & synonyms
DTXSID0094623723517-09-1N-(1-Phenylethyl)-2-(propylamino)propanimidic acid--hydrogen chloride (1/1)RefChem:1090821DTXCID001374527N-(alpha-Methylbenzyl)-2-(propylamino)propionamide hydrochloride hemihydrateAKOS026925850Propionamide, N-(alpha-methylbenzyl)-2-(propylamino)-, hydrochloride, hydrate (2:2:1)
Database identifiers
- CAS
23517-09-1- PubChem CID
- 211684
- DTXSID
DTXSID00946237
Properties
Computed structural properties
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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