{3-[(2-azidoethyl)(methyl)amino]propyl}dimethylamine dihydrochloride

• ChemBase ID: 247268
• Molecular Formular: C8H21Cl2N5
• Molecular Mass: 258.19184
• Monoisotopic Mass: 257.11740106
• SMILES: [N+](=[N-])=NCCN(CCCN(C)C)C.Cl.Cl
• Canonical SMILES: [N-]=[N+]=NCCN(CCCN(C)C)C.Cl.Cl
• InChI: InChI=1S/C8H19N5.2ClH/c1-12(2)6-4-7-13(3)8-5-10-11-9;;/h4-8H2,1-3H3;2*1H
• InChIKey: VYTRSNSKMKIQEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(2-azidoethyl)(methyl)amino]propyl}dimethylamine dihydrochloride
• IUPAC Traditional name: {3-[(2-azidoethyl)(methyl)amino]propyl}dimethylamine dihydrochloride
• Synonyms: {3-[(2-azidoethyl)(methyl)amino]propyl}dimethylamine dihydrochloride

Database IDs

• PubChem SID: 164303178
• PubChem CID: 71758180

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.799252
• LogD (pH = 7.4): -2.278478
• Log P: 0.39901614
• Molar Refractivity: 55.4574 cm^3
• Polarizability: 20.773972 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.076

Product Information

• Purity: 95%