tert-butyl N,N-bis(prop-2-en-1-yl)carbamate

• ChemBase ID: 147196
• Molecular Formular: C11H19NO2
• Molecular Mass: 197.27406
• Monoisotopic Mass: 197.14157885
• SMILES: CC(C)(C)OC(=O)N(CC=C)CC=C
• Canonical SMILES: C=CCN(C(=O)OC(C)(C)C)CC=C
• InChI: InChI=1S/C11H19NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6-7H,1-2,8-9H2,3-5H3
• InChIKey: RRIPHUBKNVVTBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N,N-bis(prop-2-en-1-yl)carbamate
• IUPAC Traditional name: tert-butyl N,N-bis(prop-2-en-1-yl)carbamate
• Synonyms: tert-Butyl N,N-diallylcarbamate; N,N-二烯丙基氨基甲酸叔丁酯

Database IDs

• CAS Number: 151259-38-0
• MDL Number: MFCD01321306
• PubChem SID: 24871055; 162241387
• PubChem CID: 5107724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5528142
• LogD (pH = 7.4): 2.5528142
• Log P: 2.5528142
• Molar Refractivity: 58.0139 cm^3
• Polarizability: 22.406046 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75 °C/1.5 mmHg(lit.)
• Flash Point: 177 °F; 81 °C
• Density: 0.914 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: (H2C=CHCH2)2NCO2C(CH3)3

DETAILS

Sigma Aldrich - 474800

Packaging
10, 50 mL in glass bottle