[3-(1H-imidazol-1-yl)propyl](methyl)amine

• ChemBase ID: 240510
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1cn(cc1)CCCNC
• Canonical SMILES: CNCCCn1cncc1
• InChI: InChI=1S/C7H13N3/c1-8-3-2-5-10-6-4-9-7-10/h4,6-8H,2-3,5H2,1H3
• InChIKey: ZPMDRIAJBDFGCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1H-imidazol-1-yl)propyl](methyl)amine
• IUPAC Traditional name: [3-(imidazol-1-yl)propyl](methyl)amine
• Synonyms: [3-(1H-imidazol-1-yl)propyl](methyl)amine

Database IDs

• MDL Number: MFCD09031545
• PubChem SID: 164296420
• PubChem CID: 15034982

CALCULATED PROPERTIES

• Polarizability: 15.952549 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9909317
• LogD (pH = 7.4): -3.0848424
• Log P: -0.22599182
• Molar Refractivity: 41.4993 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.21

Product Information

• Purity: 95%