CAS No.26054-60-4,N-CARBOBENZOXY-L-SERINE BETA-LACTONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26054-60-4
Name:	N-CARBOBENZOXY-L-SERINE BETA-LACTONE
Article Data:	12

Formula:	C₁₁H₁₁NO₄
Molecular Weight:	221.213
Synonyms:	Carbamicacid, (2-oxo-3-oxetanyl)-, phenylmethyl ester, (S)-;Carbamic acid,[(3S)-2-oxo-3-oxetanyl]-, phenylmethyl ester (9CI);Serine, N-carboxy-, b-lactone, benzyl ester, L- (8CI);(S)-N-(Benzyloxycarbonyl)-3-amino-2-oxetanone;(S)-N-(Benzyloxycarbonyl)serine b-lactone;N-(Benzyloxycarbonyl)-L-serine b-lactone;N-(Benzyloxycarbonyl)serine-b-lactone;N-Benzyloxycarbonylserine lactone;
Density:	1.31 g/cm³
Melting Point:	129-130°C
Boiling Point:	425.5 °C at 760 mmHg
Flash Point:	211.1 °C
Appearance:	white foam
PSA:	64.63000
LogP:	1.22910

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Specification

This chemical is called Benzyl [(3S)-2-oxooxetan-3-yl]carbamate, and its CAS registry number is 26054-60-4. With the molecular formula of C₁₁H₁₁NO₄, its molecular weight is 221.21. Additionally, its product categories are N-CBZ; Oxetanes; Simple 4-Membered Ring Compounds; Amino Acids & Derivatives; Chiral Reagents.

Other characteristics of the Benzyl [(3S)-2-oxooxetan-3-yl]carbamate can be summarised as followings: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.62; (8)ACD/KOC (pH 7.4): 31.58; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 55.2 cm³; (15)Molar Volume: 168.5 cm³; (16)Polarizability: 21.88×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 211.1 °C; (20)Enthalpy of Vaporization: 68.02 kJ/mol; (21)Boiling Point: 425.5 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2OC[C@@H]2NC(=O)OCc1ccccc1
2.InChI: InChI=1/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
3.InChIKey: CWFZPRQDHIUBDO-VIFPVBQEBF