3-azidopropan-1-amine

• ChemBase ID: 263185
• Molecular Formular: C3H8N4
• Molecular Mass: 100.12242
• Monoisotopic Mass: 100.07489628
• SMILES: [N+](=[N-])=NCCCN
• Canonical SMILES: [N-]=[N+]=NCCCN
• InChI: InChI=1S/C3H8N4/c4-2-1-3-6-7-5/h1-4H2
• InChIKey: OYBOVXXFJYJYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-azidopropan-1-amine
• IUPAC Traditional name: 3-azidopropan-1-amine
• Synonyms: 3-azidopropan-1-amine

Database IDs

• MDL Number: MFCD11046568
• PubChem SID: 164319095
• PubChem CID: 150110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.572692
• LogD (pH = 7.4): -3.1358352
• Log P: -0.43525672
• Molar Refractivity: 27.369 cm^3
• Polarizability: 10.065603 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.851

Product Information

• Purity: 95%