2-amino-N-butyl-N-methylpropanamide hydrochloride

• ChemBase ID: 48734
• Molecular Formular: C8H19ClN2O
• Molecular Mass: 194.70226
• Monoisotopic Mass: 194.11859092
• SMILES: C(=O)(N(CCCC)C)C(N)C.Cl
• Canonical SMILES: CCCCN(C(=O)C(N)C)C.Cl
• InChI: InChI=1S/C8H18N2O.ClH/c1-4-5-6-10(3)8(11)7(2)9;/h7H,4-6,9H2,1-3H3;1H
• InChIKey: ODIVDSXZYXAPRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-butyl-N-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-butyl-N-methylpropanamide hydrochloride
• Synonyms: 2-Amino-N-butyl-N-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13561996
• PubChem SID: 162053497
• PubChem CID: 53409091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2647274
• LogD (pH = 7.4): -0.6352614
• Log P: 0.38559723
• Molar Refractivity: 45.9865 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false