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77987-49-6

Basic Information
CAS No.: 77987-49-6
Name: BENZYL N-(2-HYDROXYETHYL)CARBAMATE
Article Data: 93
Molecular Structure:
Molecular Structure of 77987-49-6 (BENZYL N-(2-HYDROXYETHYL)CARBAMATE)
Formula: C10H13NO3
Molecular Weight: 195.218
Synonyms: Carbamicacid, (2-hydroxyethyl)-, benzyl ester (6CI,7CI);Carbamic acid,(2-hydroxyethyl)-, phenylmethyl ester (9CI);(2-Hydroxyethyl)carbamic acidbenzyl ester;(2-Hydroxyethyl)carbamic acid phenylmethyl ester;2-(Benzyloxycarbonylamino)ethanol;2-[N-(Benzyloxycarbonyl)amino]ethanol;Benzyl (2-hydroxyethyl)carbamate;Benzyl N-(2-hydroxyethyl)carbamate;N-(2-Hydroxyethyl)carbamicacid benzyl ester;N-(Benzyloxycarbonyl)ethanolamine;N-Benzyloxycarbonyl-2-aminoethanol;NSC 132101;
EINECS: 629-174-1
Density: 1.182 g/cm3
Melting Point: 50-60 °C
Boiling Point: 372.5 °C at 760 mmHg
Flash Point: 179.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 58.56000
LogP: 1.29600
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Specification

The Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester, with the CAS registry number 77987-49-6, is also known as N-Cbz-glycinol. It belongs to the product categories of Amino Alcohols; Z-Amino Acid Series. This chemical's molecular formula is C10H13NO3 and molecular weight is 195.22. What's more, its systematic name is called Benzyl (2-hydroxyethyl)carbamate.

Physical properties about Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.67; (8)ACD/KOC (pH 7.4): 94.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 51.97 cm3; (15)Molar Volume: 165 cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 179.1 °C; (19)Enthalpy of Vaporization: 65.38 kJ/mol; (20)Boiling Point: 372.5 °C at 760 mmHg; (21)Vapour Pressure: 3.28E-06 mmHg at 25 °C.

Preparation of Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester: this chemical can be prepared by 2-Amino-ethanol with Carbonochloridic acid benzyl ester. This reaction needs reagent Na2CO3 at temperature of 0-8 °C. The reaction time is 3 hours. The yield is 83 %.

Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester can be prepared by 2-Amino-ethanol with Carbonochloridic acid benzyl ester.

Uses of Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester: it is used to produce other chemicals. For example, it is used to produce 2-[(Benzyloxycarbonyl)amino]ethyl 3-oxobutanoate. The reaction occurs with reagent Triethylamine and solvent CH2Cl2 for 6 hours. The yield is 75 %.

Carbamic acid,N-(2-hydroxyethyl)-, phenylmethyl ester is used to produce 2-[(Benzyloxycarbonyl)amino]ethyl 3-oxobutanoate.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)NCCO
(2) InChI: InChI=1/C10H13NO3/c12-7-6-11-10(13)14-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
(3) InChIKey: SAGINAGERRNGGV-UHFFFAOYAG