4-amino-N,N-dimethylbutanamide hydrochloride

• ChemBase ID: 144007
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: CN(C)C(=O)CCCN.Cl
• Canonical SMILES: NCCCC(=O)N(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-8(2)6(9)4-3-5-7;/h3-5,7H2,1-2H3;1H
• InChIKey: FMNYKYLEMQYNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dimethylbutanamide hydrochloride
• IUPAC Traditional name: 4-amino-N,N-dimethylbutanamide hydrochloride
• Synonyms: 4-Amino-N,N-dimethylbutanamide hydrochloride; 4-amino-N,N-dimethylbutanamide hydrochloride

Database IDs

• MDL Number: MFCD13196030
• PubChem SID: 162238224
• PubChem CID: 45792288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9996486
• LogD (pH = 7.4): -3.4395354
• Log P: -0.9813921
• Molar Refractivity: 37.0734 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): -0.685

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C6H15ClN2O

DETAILS

Sigma Aldrich - CBR00927

Other Notes
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Legal Information
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