CAS No.33720-71-7,Benzonitrile, 5-acetyl-2-amino- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33720-71-7
Name:	Benzonitrile, 5-acetyl-2-amino- (9CI)
Article Data:	8

Formula:	C₉H₈N₂O
Molecular Weight:	160.175
Synonyms:	5-Acetyl-anthranilonitrile;Anthranilonitrile,5-acetyl- (8CI);4'-Amino-3'-cyanoacetophenone;
Density:	1.202 g/cm³
Melting Point:	159-161 °C
Boiling Point:	374.536 °C at 760 mmHg
Flash Point:	180.313 °C
Appearance:	Yellow Solid
PSA:	66.88000
LogP:	1.92428

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Specification

The 5-Acetyl-2-aminobenzonitrile, with the CAS registry number 33720-71-7, is also known as 4'-Amino-3'-cyanoacetophenone. It belongs to the product categories of Acetylgroup; Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₉H₈N₂O and molecular weight is 160.17. What's more, its systematic name is 5-Acetyl-2-aminobenzonitrile.

Physical properties of 5-Acetyl-2-aminobenzonitrile are: (1)ACD/LogP: 0.935; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 3.02; (7)ACD/KOC (pH 5.5): 76.86; (8)ACD/KOC (pH 7.4): 76.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.88 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 44.308 cm³; (15)Molar Volume: 133.266 cm³; (16)Polarizability: 17.565×10^-24cm³; (17)Surface Tension: 55.96 dyne/cm; (18)Density: 1.202 g/cm³; (19)Flash Point: 180.313 °C; (20)Enthalpy of Vaporization: 62.194 kJ/mol; (21)Boiling Point: 374.536 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(ccc1N)C(=O)C
(2)Std. InChI: InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3
(3)Std. InChIKey: SJXQSPLLUXAJQJ-UHFFFAOYSA-N