N-(3-aminopropyl)pyridin-2-amine

• ChemBase ID: 258940
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(NCCCN)cccc1
• Canonical SMILES: NCCCNc1ccccn1
• InChI: InChI=1S/C8H13N3/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7,9H2,(H,10,11)
• InChIKey: CNDAFPBECHAXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)pyridin-2-amine
• IUPAC Traditional name: N-(3-aminopropyl)pyridin-2-amine
• Synonyms: N-(3-aminopropyl)pyridin-2-amine

Database IDs

• MDL Number: MFCD09931684
• PubChem SID: 164314850
• PubChem CID: 10606924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9361985
• LogD (pH = 7.4): -2.3064804
• Log P: 0.08578498
• Molar Refractivity: 47.2236 cm^3
• Polarizability: 17.624964 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 55°C
• Hydrophobicity(logP): 0.801

Product Information

• Purity: 95%