4-amino-N,N-dimethylbutanamide dihydrochloride

• ChemBase ID: 263347
• Molecular Formular: C6H16Cl2N2O
• Molecular Mass: 203.11004
• Monoisotopic Mass: 202.0639685
• SMILES: C(=O)(N(C)C)CCCN.Cl.Cl
• Canonical SMILES: NCCCC(=O)N(C)C.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c1-8(2)6(9)4-3-5-7;;/h3-5,7H2,1-2H3;2*1H
• InChIKey: VYJRUEWGDPLCIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N,N-dimethylbutanamide dihydrochloride
• IUPAC Traditional name: 4-amino-N,N-dimethylbutanamide dihydrochloride
• Synonyms: 4-amino-N,N-dimethylbutanamide dihydrochloride

Database IDs

• MDL Number: MFCD13196049
• PubChem SID: 164319257
• PubChem CID: 45792307

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

• Hydrophobicity(logP): -0.685

Product Information

• Purity: 95%