[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine

• ChemBase ID: 144039
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1cn(cn1)CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)Cn1cncc1
• InChI: InChI=1S/C8H13N3/c9-5-8(1-2-8)6-11-4-3-10-7-11/h3-4,7H,1-2,5-6,9H2
• InChIKey: BMPMBBWPKSTTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(imidazol-1-ylmethyl)cyclopropyl]methanamine
• Synonyms: 1-[1-(1H-Imidazol-1-ylmethyl)cyclopropyl]methanamine; 1-[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 877204-21-2
• MDL Number: MFCD09031541
• PubChem SID: 162238256
• PubChem CID: 11701066

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7017598
• LogD (pH = 7.4): -2.689006
• Log P: -0.15062296
• Molar Refractivity: 43.6818 cm^3
• Polarizability: 17.064802 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H13N3

DETAILS

Sigma Aldrich - CBR00278

Other Notes
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Legal Information
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