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2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro-

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Name

2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro-

EINECS N/A
CAS No. 22246-76-0 Density 1.184g/cm3
PSA 55.12000 LogP 2.26280
Solubility N/A Melting Point N/A
Formula C10H12N2O Boiling Point 408.5 °C at 760 mmHg
Molecular Weight 176.22 Flash Point 200.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 22246-76-0 (8-AMINO-1,3,4,5-TETRAHYDROBENZO[B]AZEPINE-2-ONE) Hazard Symbols Xn
Synonyms

8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one;

 

2H-1-Benzazepin-2-one,8-amino-1,3,4,5-tetrahydro- 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

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