Carbamic acid,N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester supplier

Name
N-BOC-L-PHENYLGLYCINAL
EINECS
CAS No. 163061-19-6
Article Data24
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₃
Boiling Point 356.67 °C at 760 mmHg
Molecular Weight 235.283
Flash Point 169.508 °C
Transport Information
Appearance
Safety 26
Risk Codes 20/21/22-36/37/38-43
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, (2-oxo-1-phenylethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester (9CI);N-(tert-Butoxylcarbonyl)-L-phenylglycinal;tert-butyl [(1S)-2-oxo-1-phenylethyl]carbamate;carbamic acid, N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester;tert-butyl [(1S)-2-oxo-1-phenylethyl]carbamate;
PSA 55.40000
LogP 2.84220

Carbamic acid,N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester, with the CAS registry number 163061-19-6, has the systematic name of tert-butyl [(1S)-2-oxo-1-phenylethyl]carbamate. It is a kind of organics, and should be stored at dry and cool environment, the molecular formula of this chemical is C₁₃H₁₇NO₃.

The physical properties of Carbamic acid,N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 116; (6)ACD/BCF (pH 7.4): 116; (7)ACD/KOC (pH 5.5): 1045; (8)ACD/KOC (pH 7.4): 1045; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 64.492 cm³; (15)Molar Volume: 215.198 cm³; (16)Polarizability: 25.566×10^-24cm³; (17)Surface Tension: 39.099 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 169.508 °C; (20)Enthalpy of Vaporization: 60.196 kJ/mol; (21)Boiling Point: 356.67 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C=O)c1ccccc1
(2)InChI: InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)/t11-/m1/s1
(3)InChIKey: PEVGKAAGTGDOGA-LLVKDONJBU

Product Name

N-BOC-L-PHENYLGLYCINAL

Carbamic acid,N-[(1S)-2-oxo-1-phenylethyl]-, 1,1-dimethylethyl ester Specification

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