2-N-(3-ethoxypropyl)pyridine-2,3-diamine

• ChemBase ID: 49795
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: c1(ncccc1N)NCCCOCC
• Canonical SMILES: CCOCCCNc1ncccc1N
• InChI: InChI=1S/C10H17N3O/c1-2-14-8-4-7-13-10-9(11)5-3-6-12-10/h3,5-6H,2,4,7-8,11H2,1H3,(H,12,13)
• InChIKey: QPBSRASTSVLYMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-(3-ethoxypropyl)pyridine-2,3-diamine
• IUPAC Traditional name: 2-N-(3-ethoxypropyl)pyridine-2,3-diamine
• Synonyms: N-2-(3-Ethoxypropyl)-2,3-pyridinediamine

Database IDs

• MDL Number: MFCD11187312
• PubChem SID: 162054558
• PubChem CID: 28818410

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.92823493
• LogD (pH = 7.4): 0.15832894
• Log P: 0.36367527
• Molar Refractivity: 59.7663 cm^3
• Polarizability: 21.609207 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false