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Cas Database |
| Name |
1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S,4S)- |
EINECS | N/A |
| CAS No. | 132622-66-3 | Density | 1.232g/cm3 |
| PSA | 92.86000 | LogP | 1.04590 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (2S-cis)-; |
Article Data | 8 |
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
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