1-(pyridin-4-yl)propane-1,2-diamine

• ChemBase ID: 282001
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C(c1ccncc1)(C(N)C)N
• Canonical SMILES: NC(c1ccncc1)C(N)C
• InChI: InChI=1S/C8H13N3/c1-6(9)8(10)7-2-4-11-5-3-7/h2-6,8H,9-10H2,1H3
• InChIKey: TZLYXONSYYOYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-4-yl)propane-1,2-diamine
• IUPAC Traditional name: 1-(pyridin-4-yl)propane-1,2-diamine
• Synonyms: 1-(pyridin-4-yl)propane-1,2-diamine

Database IDs

• MDL Number: MFCD16547819
• PubChem SID: 180667532
• PubChem CID: 47003651

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4741497
• LogD (pH = 7.4): -2.3748288
• Log P: -0.43929988
• Molar Refractivity: 44.4133 cm^3
• Polarizability: 18.016464 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.921

Product Information

• Purity: 95%