N-Cbz-L-proline supplier | CasNO.5618-96-2

Name
1-[(BENZYLOXY)CARBONYL]PYRROLIDINE-2-CARBOXYLIC ACID
EINECS
CAS No. 5618-96-2
Article Data2
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point 101-102 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Formula C₁₃H₁₅NO₄
Boiling Point 432.3 °C at 760 mmHg
Molecular Weight 249.26
Flash Point 215.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (?à)-;1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, DL-(8CI);1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylicacid;N-Benzyloxycarbonyl-DL-proline;N-Carbobenzoxyproline;NSC 29728;Proline,N-(benzyloxy)carbonyl-;
PSA 66.84000
LogP 1.81010

N-Cbz-L-proline Specification

The 1,2-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, with the CAS registry number 5618-96-2, has the systematic name of 1-[(benzyloxy)carbonyl]proline. It belongs to the following product categories: Carboxylic Acids; Pyrrolidines; Cbz-Amino acid series. And the molecular formula of the chemical is C₁₃H₁₅NO₄.

The characteristics of 1,2-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.13; (8)ACD/KOC (pH 7.4): 1; (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: 1.582; (14)Molar Refractivity: 63.55 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 25.19×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 215.3 °C; (20)Enthalpy of Vaporization: 72.53 kJ/mol; (21)Boiling Point: 432.3 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C2N(C(=O)OCc1ccccc1)CCC2
(2)InChI: InChI=1/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)
(3)InChIKey: JXGVXCZADZNAMJ-UHFFFAOYAA

Product Name

1-[(BENZYLOXY)CARBONYL]PYRROLIDINE-2-CARBOXYLIC ACID

N-Cbz-L-proline Specification

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