tert-butyl N-(pent-4-en-1-yl)carbamate

• ChemBase ID: 118527
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(OC(C)(C)C)NCCCC=C
• Canonical SMILES: C=CCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h5H,1,6-8H2,2-4H3,(H,11,12)
• InChIKey: UZABMBWHKURXMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(pent-4-en-1-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(pent-4-en-1-yl)carbamate
• Synonyms: tert-butyl pent-4-en-1-ylcarbamate

Database IDs

• CAS Number: 202925-92-6
• MDL Number: MFCD08437624
• PubChem SID: 162098645
• PubChem CID: 12181732

CALCULATED PROPERTIES

• Acid pKa: 16.151627
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.331118
• LogD (pH = 7.4): 2.331118
• Log P: 2.331118
• Molar Refractivity: 53.3105 cm^3
• Polarizability: 20.806477 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.231

Product Information

• Purity: 95+%