N-(prop-2-en-1-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 291937
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: CC(C)(C)OC(=O)N(N)CC=C
• Canonical SMILES: C=CCN(C(=O)OC(C)(C)C)N
• InChI: InChI=1S/C8H16N2O2/c1-5-6-10(9)7(11)12-8(2,3)4/h5H,1,6,9H2,2-4H3
• InChIKey: ZTWGIZOCAXOUOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-(prop-2-en-1-yl)tert-butoxycarbohydrazide
• Synonyms: tert-Butyl 1-allylhydrazinecarboxylate

Database IDs

• CAS Number: 21075-86-5
• MDL Number: MFCD18447709
• PubChem SID: 180677468
• PubChem CID: 10535205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2988191
• LogD (pH = 7.4): 1.3013799
• Log P: 1.3014127
• Molar Refractivity: 48.4386 cm^3
• Polarizability: 18.559212 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%