N-(3-methoxyphenyl)(tert-butoxy)carbohydrazide

• ChemBase ID: 163242
• Molecular Formular: C12H18N2O3
• Molecular Mass: 238.28292
• Monoisotopic Mass: 238.13174245
• SMILES: c1ccc(cc1OC)N(N)C(=O)OC(C)(C)C
• Canonical SMILES: COc1cccc(c1)N(C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14(13)9-6-5-7-10(8-9)16-4/h5-8H,13H2,1-4H3
• InChIKey: FCLSOWMUJVJPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-(3-methoxyphenyl)tert-butoxycarbohydrazide
• Synonyms: 1-(3-Methoxyphenyl)hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester; N1-tert-Butoxycarbonyl 1-(3-Methoxyphenyl)hydrazine

Database IDs

• CAS Number: 380383-81-3
• PubChem SID: 162257377
• PubChem CID: 68988342

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0702763
• LogD (pH = 7.4): 2.070448
• Log P: 2.07045
• Molar Refractivity: 65.5167 cm^3
• Polarizability: 25.373346 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Thick Orange Oil