6-azidohexan-1-amine

• ChemBase ID: 64080
• Molecular Formular: C6H14N4
• Molecular Mass: 142.20216
• Monoisotopic Mass: 142.12184647
• SMILES: NCCCCCCN=[N+]=[N-]
• Canonical SMILES: NCCCCCCN=[N+]=[N-]
• InChI: InChI=1S/C6H14N4/c7-5-3-1-2-4-6-9-10-8/h1-7H2
• InChIKey: CLQMAUAPICAWGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-azidohexan-1-amine
• IUPAC Traditional name: 6-azidohexan-1-amine
• Synonyms: 6-Azidohexan-1-amine

Database IDs

• CAS Number: 349553-73-7
• MDL Number: MFCD07369845
• PubChem SID: 162029819
• PubChem CID: 12034568

CALCULATED PROPERTIES

• Acid pKa: 4.69872
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1493483
• LogD (pH = 7.4): -1.7467551
• Log P: -1.952205
• Molar Refractivity: 41.2156 cm^3
• Polarizability: 15.567227 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%