4-azidobutan-1-amine

• ChemBase ID: 64081
• Molecular Formular: C4H10N4
• Molecular Mass: 114.149
• Monoisotopic Mass: 114.09054634
• SMILES: NCCCCN=[N+]=[N-]
• Canonical SMILES: NCCCCN=[N+]=[N-]
• InChI: InChI=1S/C4H10N4/c5-3-1-2-4-7-8-6/h1-5H2
• InChIKey: LFMZGBHJJNIRKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azidobutan-1-amine
• IUPAC Traditional name: 4-azidobutan-1-amine
• Synonyms: 4-Azidobutan-1-amine

Database IDs

• CAS Number: 88192-20-5
• MDL Number: MFCD11046232
• PubChem SID: 162029820
• PubChem CID: 150111

CALCULATED PROPERTIES

• Acid pKa: 4.697396
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0385094
• LogD (pH = 7.4): -2.6353936
• Log P: -2.841022
• Molar Refractivity: 32.0136 cm^3
• Polarizability: 11.89608 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%