propane-1,2,3-triamine

• ChemBase ID: 284950
• Molecular Formular: C3H11N3
• Molecular Mass: 89.13954
• Monoisotopic Mass: 89.09529737
• SMILES: C(N)(CN)CN
• Canonical SMILES: NCC(CN)N
• InChI: InChI=1S/C3H11N3/c4-1-3(6)2-5/h3H,1-2,4-6H2
• InChIKey: PZZICILSCNDOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane-1,2,3-triamine
• IUPAC Traditional name: propane-1,2,3-triamine
• Synonyms: propane-1,2,3-triamine

Database IDs

• MDL Number: MFCD19216637
• PubChem SID: 180670481
• PubChem CID: 432418

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.5252213
• LogD (pH = 7.4): -5.013395
• Log P: -2.1596594
• Molar Refractivity: 25.4886 cm^3
• Polarizability: 10.84103 Å^3
• Polar Surface Area: 78.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.6

Product Information

• Purity: 95%