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Cas Database |
| Name |
Benzyl (1-cyano-1-methylethyl)carbamate |
EINECS | N/A |
| CAS No. | 100134-82-5 | Density | 1.125 g/cm3 |
| PSA | 62.12000 | LogP | 2.60588 |
| Solubility | 70g/L | Melting Point |
97 °C |
| Formula | C12H14N2O2 | Boiling Point | 381.613 °C at 760 mmHg |
| Molecular Weight | 218.255 | Flash Point | 184.593 °C |
| Transport Information | N/A | Appearance | Colourless solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, (1-cyano-1-methylethyl)-, benzyl ester (6CI);Carbamic acid,(1-cyano-1-methylethyl)-, phenylmethyl ester (9CI); |
Article Data | 14 |
Benzyl (1-cyano-1-methylethyl)carbamate Chemical Properties
Product Name: Carbamicacid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester (CAS NO.100134-82-5)
Molecular Formula: C12H14N2O2
Molecular Weight: 218.2518g/mol
Mol File: 100134-82-5.mol
Boiling point: 381.6 °C at 760 mmHg
Flash Point: 184.6 °C
Density: 1.124 g/cm3
Index of Refraction: 1.526
Molar Refractivity: 59.58 cm3
Molar Volume: 194 cm3
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 62.99 kJ/mol
Vapour Pressure: 5.01E-06 mmHg at 25°C
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Carbamicacid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester (CAS NO.100134-82-5):
IUPAC Name: benzyl N-(2-cyanopropan-2-yl)carbamate
Canonical SMILES: CC(C)(C#N)NC(=O)OCC1=CC=CC=C1
InChI: InChI=1S/C12H14N2O2/c1-12(2,9-13)14-11(15)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChIKey: DJQKBMUYZUEUBU-UHFFFAOYSA-N
Benzyl (1-cyano-1-methylethyl)carbamate Specification
Carbamicacid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester , its CAS NO. is 100134-82-5, the synonyms are Benzyl (1-cyano-1-methylethyl)carbamate ; Raltegravir I .
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