CAS No.147266-92-0,(2R,4S)-N-ALPHA-T-BUTOXYCARBONYL-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	147266-92-0
Name:	(2R,4S)-N-ALPHA-T-BUTOXYCARBONYL-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACID
Article Data:	7

Formula:	C₁₀H₁₇NO₅
Molecular Weight:	231.249
Synonyms:	1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2R-trans)-;(2R,4S)-1-(tert-Butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid;(4S)-1-(tert-Butoxycarbonyl)-4-hydroxy-D-proline;N-tert-Butoxycarbonyl-trans-4-hydroxy-D-proline;
EINECS:	803-000-6
Density:	1.312 g/cm³
Melting Point:	123°C
Boiling Point:	390.873 °C at 760 mmHg
Flash Point:	190.193 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	87.07000
LogP:	0.37920

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Specification

This chemical is called 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2R,4S)-, and its CAS registry number is 147266-92-0. With the molecular formula of C₁₀H₁₇NO₅, its molecular weight is 231.25. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2R,4S)- can be summarised as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.037; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 87.07 Å²; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 54.526 cm³; (13)Molar Volume: 176.195 cm³; (14)Polarizability: 21.616×10^-24cm³; (15)Surface Tension: 57.035 dyne/cm; (16)Density: 1.312 g/cm³; (17)Flash Point: 190.193 °C; (18)Enthalpy of Vaporization: 74.049 kJ/mol; (19)Boiling Point: 390.873 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C(=O)O)O
2.InChI: InChI=1/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m0/s1
3.InChIKey: BENKAPCDIOILGV-NKWVEPMBBK