CAS No.4178-93-2,H-LEU-PNA Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4178-93-2
Name:	H-LEU-PNA
Article Data:	4

Formula:	C₁₂H₁₇N₃O₃
Molecular Weight:	251.285
Synonyms:	Pentanamide,2-amino-4-methyl-N-(4-nitrophenyl)-, (S)-;Valeranilide,2-amino-4-methyl-4'-nitro-, L- (8CI);L-Leucine p-nitroanilide;L-Leucine-p-nitroanilide;L-Leucyl-4-nitroanilide;L-Leucyl-p-nitroanilide;Leucine p-nitroanilide;N-L-Leucyl-p-nitroanilide;N-a-L-Leucine p-nitroanilide;H-Leu-pNA·HCl;
EINECS:	224-047-3
Density:	1.226 g/cm³
Melting Point:	88-90 °C
Boiling Point:	454.5 °C at 760 mmHg
Flash Point:	228.7 °C
Appearance:	Crystalline, colourless liquid
Hazard Symbols:	Xi
Risk Codes:	36-43
Safety:	22-24/25-36/37-26
PSA:	100.94000
LogP:	3.20320

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Specification

The Pentanamide,2-amino-4-methyl-N-(4-nitrophenyl)-, (2S)-, with the CAS registry number 4178-93-2, is also known as 2-Amino-4-methyl-pentanoic acid (4-nitro-phenyl)-amide. Its EINECS number is 224-047-3. This chemical's molecular formula is C₁₂H₁₇N₃O₃ and molecular weight is 251.28. What's more, its systematic name is N-(4-nitrophenyl)-L-leucinamide. It should be sealed and stored in ventilated and dry places and be protected from light.

Physical properties of Pentanamide,2-amino-4-methyl-N-(4-nitrophenyl)-, (2S)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.48; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.59; (7)ACD/KOC (pH 5.5): 1.16; (8)ACD/KOC (pH 7.4): 58.64; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.37 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 69.05 cm³; (15)Molar Volume: 204.8 cm³; (16)Polarizability: 27.37×10^-24 cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.226 g/cm³; (19)Flash Point: 228.7 °C; (20)Enthalpy of Vaporization: 71.41 kJ/mol; (21)Boiling Point: 454.5 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. It may cause sensitisation by skin contact. You should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](N)CC(C)C
(2)InChI: InChI=1/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m0/s1
(3)InChIKey: AXZJHDNQDSVIDR-NSHDSACABX