3-amino-N,N-dimethylpropanamide hydrochloride

• ChemBase ID: 48785
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(N(C)C)CCN.Cl
• Canonical SMILES: NCCC(=O)N(C)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-7(2)5(8)3-4-6;/h3-4,6H2,1-2H3;1H
• InChIKey: MIXAHKDWLQNRES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dimethylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N,N-dimethylpropanamide hydrochloride
• Synonyms: N1,N1-Dimethyl-beta-alaninamide hydrochloride; 3-Amino-N,N-dimethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD10686752
• PubChem SID: 162053548
• PubChem CID: 22364453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2041073
• LogD (pH = 7.4): -2.9813776
• Log P: -1.2700533
• Molar Refractivity: 32.3184 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115°C
• Hydrophobicity(logP): -0.93

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C5H13ClN2O

DETAILS

Sigma Aldrich - CBR00920

Other Notes
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Legal Information
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