CAS No.6758-40-3,p-Nitrobenzoyl-L-glutamic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6758-40-3
Name:	p-Nitrobenzoyl-L-glutamic acid
Article Data:	7

Formula:	C₁₂H₁₂N₂O₇
Molecular Weight:	296.236
Synonyms:	Glutamicacid, N-(p-nitrobenzoyl)-, L- (8CI);N-(p-Nitrobenzoyl)-L(+)-glutamic acid;NSC17156;NSC 83096;L-Glutamic acid,N-(4-nitrobenzoyl)-;p-Nitrobenzoylglutamic acid;
EINECS:	229-820-9
Density:	1.501 g/cm³
Melting Point:	117-118 °C(lit.)
Boiling Point:	619.9 °C at 760 mmHg
Flash Point:	328.7 °C
Solubility:	very soluble in water
Appearance:	Off-white powder
PSA:	149.52000
LogP:	1.55670

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Specification

The p-Nitrobenzoyl-L-glutamic acid, with the CAS registry number 6758-40-3, is also known as N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate. It belongs to the product category of Amino Acids. Its EINECS number is 229-820-9. This chemical's molecular formula is C₁₂H₁₂N₂O₇ and formula weight is 296.23. What's more, its IUPAC name is (2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid. It should be sealed and stored in a cool and dry place and be protected from strong oxidizes. It is used as an intermediate of Vitamin M.

Physical properties of p-Nitrobenzoyl-L-glutamic acid are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -4.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 118.73 Å²; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 68.04 cm³; (13)Molar Volume: 197.2 cm³; (14)Surface Tension: 72.6 dyne/cm; (15)Density: 1.501 g/cm³; (16)Flash Point: 328.7 °C; (17)Enthalpy of Vaporization: 96.59 kJ/mol; (18)Boiling Point: 619.9 °C at 760 mmHg; (19)Vapour Pressure: 3.17E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]
(2)Isomeric SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N+](=O)[O-]
(3)InChI: InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1
(4)InChIKey: NOJZBJAFCSWMKC-VIFPVBQESA-N