Molecule structure of 3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3):
IUPAC Name: [3-(2-Hydroxypropan-2-yl)phenyl] N-methylcarbamate
Molecular Weight: 209.2417 g/mol
Molecular Formula: C11H15NO3
Density: 1.139 g/cm3
Boiling Point: 318.9 °C at 760 mmHg
Flash Point: 146.7 °C
Index of Refraction: 1.527
Molar Refractivity: 56.47 cm3
Molar Volume: 183.5 cm3
Polarizability: 22.38×10-24 cm3
Surface Tension: 40 dyne/cm
Enthalpy of Vaporization: 59.16 kJ/mol
Vapour Pressure: 0.000147 mmHg at 25 °C
XLogP3: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 209.105193
MonoIsotopic Mass: 209.105193
Topological Polar Surface Area: 58.6
Heavy Atom Count: 15
Complexity: 228
Canonical SMILES: CC(C)(C1=CC(=CC=C1)OC(=O)NC)O
InChI: InChI=1S/C11H15NO3/c1-11(2,14)8-5-4-6-9(7-8)15-10(13)12-3/h4-7,14H,1-3H3,(H,12,13)
InChIKey 3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3): RTTKHSIBIIQTAR-UHFFFAOYSA-N
1. | ipr-mus LD50:2900 µg/kg | JAFCAU Journal of Agricultural and Food Chemistry. 16 (1968),561. |
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
3-(1-Hydroxy-1-methylethyl)phenyl methylcarbamate (CAS NO.17710-63-3) is also named as BRN 2271432 ; Hydroxypropyl UC 10854 ; Methylcarbamic acid alpha-hydroxy-m-cumenyl ester ; Benzenemethanol, alpha,alpha-dimethyl-3-(((methylamino)carbonyl)oxy)- (9CI) ; Carbamic acid, methyl-, alpha-hydroxy-m-cumenyl ester .
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