3-amino-N,N-dipropylpropanamide hydrochloride

• ChemBase ID: 48802
• Molecular Formular: C9H21ClN2O
• Molecular Mass: 208.72884
• Monoisotopic Mass: 208.13424098
• SMILES: C(=O)(N(CCC)CCC)CCN.Cl
• Canonical SMILES: CCCN(C(=O)CCN)CCC.Cl
• InChI: InChI=1S/C9H20N2O.ClH/c1-3-7-11(8-4-2)9(12)5-6-10;/h3-8,10H2,1-2H3;1H
• InChIKey: FHZBSLXZZBTYDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dipropylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N,N-dipropylpropanamide hydrochloride
• Synonyms: 3-Amino-N,N-dipropylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562052
• PubChem SID: 162053565
• PubChem CID: 53409676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4454443
• LogD (pH = 7.4): -1.2227069
• Log P: 0.4886074
• Molar Refractivity: 50.8636 cm^3
• Polarizability: 20.040365 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false