{2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride

• ChemBase ID: 244408
• Molecular Formular: C10H25Cl2N5
• Molecular Mass: 286.245
• Monoisotopic Mass: 285.14870119
• SMILES: [N+](=[N-])=NCCN(CC(C)C)CCN(C)C.Cl.Cl
• Canonical SMILES: [N-]=[N+]=NCCN(CC(C)C)CCN(C)C.Cl.Cl
• InChI: InChI=1S/C10H23N5.2ClH/c1-10(2)9-15(6-5-12-13-11)8-7-14(3)4;;/h10H,5-9H2,1-4H3;2*1H
• InChIKey: ALBOIFXQPDZCGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride
• IUPAC Traditional name: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride
• Synonyms: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride

Database IDs

• MDL Number: MFCD22628522
• PubChem SID: 164300318
• PubChem CID: 71757496

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2263942
• LogD (pH = 7.4): -0.73373437
• Log P: 1.5833596
• Molar Refractivity: 64.3362 cm^3
• Polarizability: 24.456257 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.288

Product Information

• Purity: 95%