1-cyclopropyl-1H-1,3-benzodiazol-2-amine

• ChemBase ID: 243259
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c1(n(c2c(n1)cccc2)C1CC1)N
• Canonical SMILES: Nc1nc2c(n1C1CC1)cccc2
• InChI: InChI=1S/C10H11N3/c11-10-12-8-3-1-2-4-9(8)13(10)7-5-6-7/h1-4,7H,5-6H2,(H2,11,12)
• InChIKey: ZHOYGOVZAALSPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-1H-1,3-benzodiazol-2-amine
• IUPAC Traditional name: 1-cyclopropyl-1,3-benzodiazol-2-amine
• Synonyms: 1-cyclopropyl-1H-1,3-benzodiazol-2-amine

Database IDs

• MDL Number: MFCD11202274
• PubChem SID: 164299169
• PubChem CID: 43148803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41537088
• LogD (pH = 7.4): 1.2284981
• Log P: 1.8040687
• Molar Refractivity: 51.2501 cm^3
• Polarizability: 20.516623 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.88

Product Information

• Purity: 95%