Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester supplier

Name
ZPCK
EINECS 247-432-8
CAS No. 26049-94-5
Article Data22
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point 107-108 °C(lit.)
Formula C₁₈H₁₈ClNO₃
Boiling Point 503.1 °C at 760 mmHg
Molecular Weight 331.799
Flash Point 258.1 °C
Transport Information UN 3261
Appearance white powder
Safety 26-27-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Carbamicacid, [(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester (9CI);Carbamic acid, [3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester,(S)-;Carbamic acid, [a-(chloroacetyl)phenethyl]-, benzyl ester, L- (8CI);(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone;NSC 251810;[Na-(Benzyloxycarbonyl)phenylalanyl]chloromethane;
PSA 55.40000
LogP 3.72290

Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester Specification

This chemical is called Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester, and it can also be named as ZPCK. With the molecular formula of C₁₈H₁₈ClNO₃, its molecular weight is 331.79. The CAS registry number of this chemical is 26049-94-5. Additionally, it should be sealed at the temperature of -15°C.

Other characteristics of the Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester can be summarised as followings: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 1047.94; (6)ACD/BCF (pH 7.4): 1047.47; (7)ACD/KOC (pH 5.5): 5053.08; (8)ACD/KOC (pH 7.4): 5050.8; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 89.02 cm³; (15)Molar Volume: 270.1 cm³; (16)Polarizability: 35.29×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.228 g/cm³; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 77.23 kJ/mol; (21)Boiling Point: 503.1 °C at 760 mmHg; (22)Vapour Pressure: 2.99E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: ClCC(=O)[C@@H](NC(=O)OCc1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
3.InChIKey: OYHLRJGDELITAF-INIZCTEOBB

Product Name

ZPCK

Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester Specification

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