1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)- supplier

Name
(S)-(+)-N-BOC-4-AMINO-L-PROLINE, 97
EINECS
CAS No. 132622-66-3
Article Data8
CAS DataBase
Density 1.232g/cm³
Solubility
Melting Point >266 °C(lit.)
Formula C₁₀H₁₈N₂O₄
Boiling Point 371.1 °C at 760 mmHg
Molecular Weight 230.264
Flash Point 178.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S-cis)-;
PSA 92.86000
LogP 1.04590

1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)- Specification

The 1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)-, with CAS registry number 132622-66-3, belongs to the following product category: Pharmacetical. It has the systematic name of (2R,4R)-4-amino-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid. And the chemical formula of this chemical is C₁₀H₁₈N₂O₄.

Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 92.86 Å²; (6)Index of Refraction: 1.516; (7)Molar Refractivity: 56.48 cm³; (8)Molar Volume: 186.7 cm³; (9)Polarizability: 22.39×10^-24cm³; (10)Surface Tension: 50.1 dyne/cm; (11)Density: 1.232 g/cm³; (12)Flash Point: 178.2 °C; (13)Enthalpy of Vaporization: 67.87 kJ/mol; (14)Boiling Point: 371.1 °C at 760 mmHg; (15)Vapour Pressure: 1.59E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1C(O)=O
(2)InChI: InChI=1/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7-/m1/s1
(3)InChIKey: WDWRIVZIPSHUOR-RNFRBKRXBY
(4)Std. InChI: InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7-/m1/s1
(5)Std. InChIKey: WDWRIVZIPSHUOR-RNFRBKRXSA-N

Product Name

(S)-(+)-N-BOC-4-AMINO-L-PROLINE, 97

1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)- Specification

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