4-((Benzyl)amino)butyramide monohydrochloride
Basic information
- CAS
79430-84-5- Standard SMILES
Cl.NC(=O)CCCNCc1ccccc1- InChIKey
NQXYGBREFLDTQJ-UHFFFAOYSA-N- Molecular formula
- C11H17ClN2O
- Average molar mass
- 228.72 g/mol
- Monoisotopic mass
- 228.1029409
Names & identifiers
- Preferred name
- 4-((Benzyl)amino)butyramide monohydrochloride
- IUPAC
- 4-(benzylamino)butanamide;hydrochloride
Names & synonyms
79430-84-5EINECS 279-155-34-((Benzyl)amino)butyramide HCl4-((Benzyl)amino)butyramide monohydrochlorideSCHEMBL11194575NQXYGBREFLDTQJ-UHFFFAOYSA-NDTXSID801000463NS000910434-(Benzylamino)butanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
79430-84-5- PubChem CID
- 3018833
- DTXSID
DTXSID801000463- EC Number
- 279-155-3
Properties
Computed structural properties
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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