Benzyl [(3S)-2,5-dioxopyrrolidin-3-yl]carbamate supplier

Name
(S)-3-N-CBZ-AMINO-SUCCINIMIDE
EINECS
CAS No. 60846-91-5
Article Data7
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₄
Boiling Point 515.096 °C at 760 mmHg
Molecular Weight 248.238
Flash Point 265.321 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (2,5-dioxo-3-pyrrolidinyl)-, phenylmethyl ester, (S)-;3-(Benzyloxycarbonylamino)-S-succinimide;
PSA 84.50000
LogP 1.04760

Benzyl [(3S)-2,5-dioxopyrrolidin-3-yl]carbamate 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

Product Name

(S)-3-N-CBZ-AMINO-SUCCINIMIDE

Benzyl [(3S)-2,5-dioxopyrrolidin-3-yl]carbamate Specification

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