CAS No.1738-87-0,Z-LEU-ONP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1738-87-0
Name:	Z-LEU-ONP
Article Data:	11

Formula:	C₂₀H₂₂N₂O₆
Molecular Weight:	386.404
Synonyms:	Leucine,N-carboxy-, N-benzyl p-nitrophenyl ester, L- (8CI);N-(Benzyloxycarbonyl)-L-leucine p-nitrophenyl ester;N-(Benzyloxycarbonyl)leucine 4-nitrophenyl ester;N-(Benzyloxycarbonyl)leucinep-nitrophenyl ester;N-Carbobenzoxy-L-leucine p-nitrophenyl ester;N-Carbobenzoxyleucine-p-nitrophenyl ester;N-a-Carbobenzoxy-L-leucine p-nitrophenyl ester;NSC139977;p-Nitrophenyl N-(benzyloxycarbonyl)-L-2-aminoisocaproate;a-N-Benzyloxycarbonyl-L-leucinep-nitrophenyl ester;
EINECS:	217-098-8
Density:	1.239 g/cm³
Boiling Point:	561.3 °C at 760 mmHg
Flash Point:	293.2 °C
Appearance:	Off white to yellowish powder
PSA:	110.45000
LogP:	4.75540

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Specification

The L-Leucine,N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester, with CAS registry number 1738-87-0, belongs to the following product category: Amino Acid Derivatives. It has the systematic name of 4-nitrophenyl N-[(benzyloxy)carbonyl]-L-leucinate. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₂₀H₂₂N₂O₆.

Physical properties of L-Leucine,N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 3116.12; (6)ACD/BCF (pH 7.4): 3114.45; (7)ACD/KOC (pH 5.5): 11023.6; (8)ACD/KOC (pH 7.4): 11017.67; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 101.66 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 101.71 cm³; (15)Molar Volume: 311.6 cm³; (16)Polarizability: 40.32×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.239 g/cm³; (19)Flash Point: 293.2 °C; (20)Enthalpy of Vaporization: 84.41 kJ/mol; (21)Boiling Point: 561.3 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)OCc2ccccc2)CC(C)C
(2)InChI: InChI=1/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
(3)InChIKey: UALXQWNUXKECJD-SFHVURJKBJ
(4)Std. InChI: InChI=1S/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
(5)Std. InChIKey: UALXQWNUXKECJD-SFHVURJKSA-N