(3-azidopropyl)dimethylamine

• ChemBase ID: 272904
• Molecular Formular: C5H12N4
• Molecular Mass: 128.17558
• Monoisotopic Mass: 128.1061964
• SMILES: [N+](=[N-])=NCCCN(C)C
• Canonical SMILES: [N-]=[N+]=NCCCN(C)C
• InChI: InChI=1S/C5H12N4/c1-9(2)5-3-4-7-8-6/h3-5H2,1-2H3
• InChIKey: UGCQSNBUMGFAFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-azidopropyl)dimethylamine
• IUPAC Traditional name: (3-azidopropyl)dimethylamine
• Synonyms: (3-azidopropyl)dimethylamine

Database IDs

• MDL Number: MFCD14658191
• PubChem SID: 164328814
• PubChem CID: 14044560

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.1400142
• LogD (pH = 7.4): -1.9271924
• Log P: 0.38037163
• Molar Refractivity: 37.4383 cm^3
• Polarizability: 13.730343 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.699

Product Information

• Purity: 95%