1-(1H-imidazol-1-yl)propan-2-amine

• ChemBase ID: 256816
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1cn(cc1)CC(N)C
• Canonical SMILES: CC(Cn1cncc1)N
• InChI: InChI=1S/C6H11N3/c1-6(7)4-9-3-2-8-5-9/h2-3,5-6H,4,7H2,1H3
• InChIKey: DFKZNFOZJHOROX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-imidazol-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(imidazol-1-yl)propan-2-amine
• Synonyms: 1-(1H-imidazol-1-yl)propan-2-amine

Database IDs

• CAS Number: 924714-15-8
• MDL Number: MFCD06809707
• PubChem SID: 164312726
• PubChem CID: 3854041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8483937
• LogD (pH = 7.4): -2.773111
• Log P: -0.30195692
• Molar Refractivity: 36.2781 cm^3
• Polarizability: 14.10987 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.457

Product Information

• Purity: 95%