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| CAS No.: | 60846-91-5 |
|---|---|
| Name: | (S)-3-N-CBZ-AMINO-SUCCINIMIDE |
| Molecular Structure: | |
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| Formula: | C12H12N2O4 |
| Molecular Weight: | 248.238 |
| Synonyms: | Carbamicacid, (2,5-dioxo-3-pyrrolidinyl)-, phenylmethyl ester, (S)-;3-(Benzyloxycarbonylamino)-S-succinimide; |
| Density: | 1.354 g/cm3 |
| Boiling Point: | 515.096 °C at 760 mmHg |
| Flash Point: | 265.321 °C |
| PSA: | 84.50000 |
| LogP: | 1.04760 |
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- Total:20 Page 1 of 1 1
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Specification
This chemical is called Benzyl [(3S)-2,5-dioxopyrrolidin-3-yl]carbamate, and its CAS registry number is 60846-91-5. With the molecular formula of C12H12N2O4, its molecular weight is 248.23.
Other characteristics of the Benzyl [(3S)-2,5-dioxopyrrolidin-3-yl]carbamate can be summarised as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 38; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 84.5 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 61.863 cm3; (15)Molar Volume: 183.351 cm3; (16)Polarizability: 24.524×10-24cm3; (17)Surface Tension: 57.487 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 265.321 °C; (20)Enthalpy of Vaporization: 78.688 kJ/mol; (21)Boiling Point: 515.096 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCc1ccccc1)N[C@@H]2C(=O)NC(=O)C2
2.InChI: InChI=1/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
3.InChIKey: QRQMHYISDDHZBY-VIFPVBQEBW