(4-methoxy-4-methylpentan-2-yl)hydrazine hydrochloride

• ChemBase ID: 259614
• Molecular Formular: C7H19ClN2O
• Molecular Mass: 182.69156
• Monoisotopic Mass: 182.11859092
• SMILES: C(CC(NN)C)(OC)(C)C.Cl
• Canonical SMILES: NNC(CC(OC)(C)C)C.Cl
• InChI: InChI=1S/C7H18N2O.ClH/c1-6(9-8)5-7(2,3)10-4;/h6,9H,5,8H2,1-4H3;1H
• InChIKey: QBWVCZWSUDYGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxy-4-methylpentan-2-yl)hydrazine hydrochloride
• IUPAC Traditional name: (4-methoxy-4-methylpentan-2-yl)hydrazine hydrochloride
• Synonyms: (4-methoxy-4-methylpentan-2-yl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD11858210
• PubChem SID: 164315524
• PubChem CID: 45791435

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.1720835
• LogD (pH = 7.4): 0.3053495
• Log P: 0.31659666
• Molar Refractivity: 54.2804 cm^3
• Polarizability: 17.167688 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.352

Product Information

• Purity: 95%