4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride

• ChemBase ID: 101816
• Molecular Formular: C13H25Cl2N3
• Molecular Mass: 294.2637
• Monoisotopic Mass: 293.14255318
• SMILES: c1(N(C)C)ccc(cc1)CNNCCCC.Cl.Cl
• Canonical SMILES: CCCCNNCc1ccc(cc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C13H23N3.2ClH/c1-4-5-10-14-15-11-12-6-8-13(9-7-12)16(2)3;;/h6-9,14-15H,4-5,10-11H2,1-3H3;2*1H
• InChIKey: RGEUDUOFTRQWHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride
• IUPAC Traditional name: 4-[(2-butylhydrazin-1-yl)methyl]-N,N-dimethylaniline dihydrochloride
• Synonyms: 4-[(2-butylhydrazino)methyl]-N,N-dimethylaniline dihydrochloride

Database IDs

• PubChem SID: 162105666
• PubChem CID: 71300159

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8477149
• LogD (pH = 7.4): 2.5497084
• Log P: 2.5699778
• Molar Refractivity: 92.138 cm^3
• Polarizability: 27.245403 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true