CAS No.22246-76-0,8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22246-76-0
Name:	8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE

Formula:	C₁₀H₁₂N₂O
Molecular Weight:	176.22
Synonyms:	8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one;
Density:	1.184g/cm³
Boiling Point:	408.5 °C at 760 mmHg
Flash Point:	200.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	55.12000
LogP:	2.26280

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Specification

The 2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro-, with CAS registry number 22246-76-0, belongs to the following product category: Pharmacetical. It has the systematic name of 8-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one. And the chemical formula of this chemical is C₁₀H₁₂N₂O.

Physical properties of 2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro-: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 1.6; (6)ACD/BCF (pH 7.4): 1.99; (7)ACD/KOC (pH 5.5): 45.75; (8)ACD/KOC (pH 7.4): 56.83; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 50.75 cm³; (15)Molar Volume: 148.8 cm³; (16)Polarizability: 20.12×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.184 g/cm³; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 66.05 kJ/mol; (21)Boiling Point: 408.5 °C at 760 mmHg; (22)Vapour Pressure: 6.97E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1cc(N)ccc1CCC2
(2)InChI: InChI=1/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
(3)InChIKey: XRJMPABWIZHNQA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
(5)Std. InChIKey: XRJMPABWIZHNQA-UHFFFAOYSA-N