Acetamide,2-amino-N-(4-nitrophenyl)- supplier

Name
H-GLY-PNA
EINECS
CAS No. 1205-88-5
Article Data6
CAS DataBase
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₈H₉N₃O₃
Boiling Point 451.7 °C at 760 mmHg
Molecular Weight 195.178
Flash Point 227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetanilide,2-amino-4'-nitro- (7CI,8CI);Glycine 4-nitroanilide;Glycine p-nitroanilide;Glycine p-nitrophenylamide;Glycyl p-nitroanilide;
PSA 100.94000
LogP 1.78850

Acetamide,2-amino-N-(4-nitrophenyl)- Specification

The Acetamide, 2-amino-N-(4-nitrophenyl)-, with the CAS registry number of 1205-88-5, is also known as Glycine p-nitroanilide. It belongs to the product categories of Activity; Chromogenic; Enzyme Substrates. This chemical's molecular formula is C₈H₉N₃O₃ and molecular weight is 195.18. What's more, its IUPAC name is 2-Amino-N-(4-nitrophenyl)acetamide. In addition, it must be stored at -20 °C.

Physical properties about Acetamide, 2-amino-N-(4-nitrophenyl)- are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 19.06; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 69.37 Å²; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 50.6 cm³; (13)Molar Volume: 138 cm³; (14)Surface Tension: 67.4 dyne/cm; (15)Density: 1.413 g/cm³; (16)Flash Point: 227 °C; (17)Enthalpy of Vaporization: 71.08 kJ/mol; (18)Boiling Point: 451.7 °C at 760 mmHg; (19)Vapour Pressure: 2.37E-08 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce Boc-Gly-Gly-Pna. The reaction needs reagent 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC•HCl) and solvent Dimethylformamide. The reaction temperature is 0-20 °C. The yield is about 77 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)CN
(2) InChI: InChI=1/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
(3) InChIKey: VZZMNSJSZXVCCW-UHFFFAOYAJ

Product Name

H-GLY-PNA

Acetamide,2-amino-N-(4-nitrophenyl)- Specification

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