1-N-(propan-2-yl)benzene-1,2-diamine

• ChemBase ID: 257013
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N(c1c(N)cccc1)C(C)C
• Canonical SMILES: CC(Nc1ccccc1N)C
• InChI: InChI=1S/C9H14N2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,11H,10H2,1-2H3
• InChIKey: NUANSJJRMWHEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-(propan-2-yl)benzene-1,2-diamine
• IUPAC Traditional name: 1-N-isopropylbenzene-1,2-diamine
• Synonyms: 1-N-(propan-2-yl)benzene-1,2-diamine

Database IDs

• MDL Number: MFCD11186906
• PubChem SID: 164312923
• PubChem CID: 10558787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1817222
• LogD (pH = 7.4): 1.3871154
• Log P: 1.390481
• Molar Refractivity: 50.1196 cm^3
• Polarizability: 18.152205 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.252

Product Information

• Purity: 95%