Basic information
- Name:
Carbamic acid,N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester
- CAS No.:
88191-84-8
- Molecular Structure:
![Molecular Structure of 88191-84-8 (Carbamic acid,N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester)](http://www.lookchem.com/300w/2010/071/88191-84-8.jpg)
- Formula:
- C22H26N2O4
- Molecular Weight:
- 382.45
- Synonyms:
- Carbamicacid, [(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]-,phenylmethyl ester (9CI);Calp III;Calpain Inhibitor III;MDL 28170;
- Density:
- 1.153 g/cm3
- Boiling Point:
- 595.6 °C at 760 mmHg
- Flash Point:
- 314 °C
- Safety Description:
- 22-24/25 Details
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Specification
This chemical is called Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester, and it can also be named as MDL 28170. With the molecular formula of C22H26N2O4, its molecular weight is 382.45. The CAS registry number of this chemical is 88191-84-8. Additionally, this chemical is white lyophilized solid. It should be stored at the temperature of 2-8 °C.
Other characteristics of the Carbamic acid, N-[(1S)-1-[[[(1S)-1-formyl-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester can be summarised as followings: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 847.97; (6)ACD/BCF (pH 7.4): 847.61; (7)ACD/KOC (pH 5.5): 4342.46; (8)ACD/KOC (pH 7.4): 4340.59; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 106.4 cm3; (15)Molar Volume: 331.6 cm3; (16)Polarizability: 42.18×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 314 °C; (20)Enthalpy of Vaporization: 88.75 kJ/mol; (21)Boiling Point: 595.6 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES: O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc2ccccc2
2.InChI: InChI=1/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
3.InChIKey: NGBKFLTYGSREKK-PMACEKPBBL