methyl 4-[(2-methylhydrazin-1-yl)methyl]benzoate hydrochloride

• ChemBase ID: 101827
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: C(=O)(c1ccc(cc1)CNNC)OC.Cl
• Canonical SMILES: CNNCc1ccc(cc1)C(=O)OC.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-11-12-7-8-3-5-9(6-4-8)10(13)14-2;/h3-6,11-12H,7H2,1-2H3;1H
• InChIKey: BYYZMFVFBAJAMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[(2-methylhydrazin-1-yl)methyl]benzoate hydrochloride
• IUPAC Traditional name: methyl 4-[(2-methylhydrazin-1-yl)methyl]benzoate hydrochloride
• Synonyms: methyl 4-[(2-methylhydrazino)methyl]benzoate hydrochloride

Database IDs

• PubChem SID: 162105661
• PubChem CID: 71300155

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.80888057
• LogD (pH = 7.4): 1.1352592
• Log P: 1.1415119
• Molar Refractivity: 75.8611 cm^3
• Polarizability: 21.277155 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true