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716-94-9

Basic Information
CAS No.: 716-94-9
Name: H-GLY-BETANA
Article Data: 6
Molecular Structure:
Molecular Structure of 716-94-9 (H-GLY-BETANA)
Formula: C12H12N2O
Molecular Weight: 200.24
Synonyms: Acetamide,2-amino-N-2-naphthyl- (6CI,7CI,8CI);Glycyl-2-naphthylamide;Glycyl-b-naphthylamide;Glycine-2-naphthylamide;2-Amino-N-(2-naphthyl)acetamide;Glycine b-naphthylamide;
Density: 1.249 g/cm3
Boiling Point: 453.8 °C at 760 mmHg
Flash Point: 228.2 °C
Hazard Symbols: Xn
Risk Codes: 22
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Specification

The Acetamide,2-amino-N-2-naphthalenyl-, with the CAS registry number 716-94-9, has the systematic name of N-naphthalen-2-ylglycinamide. It can be stored at room temperature, and the molecular formula of this chemical is C12H12N2O.

The physical properties of Acetamide,2-amino-N-2-naphthalenyl- are as following: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.5; (7)ACD/KOC (pH 5.5): 1.9; (8)ACD/KOC (pH 7.4): 42.42; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 61.9 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 24.54×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.249 g/cm3; (19)Flash Point: 228.2 °C; (20)Enthalpy of Vaporization: 71.32 kJ/mol; (21)Boiling Point: 453.8 °C at 760 mmHg; (22)Vapour Pressure: 2.01E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc1c(cccc1)c2)CN
(2)InChI: InChI=1/C12H12N2O/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)
(3)InChIKey: AGKGUZNUTMWZTB-UHFFFAOYAV