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1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one

1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one structure

CAS No:
137976-09-1
Formula:
C17H16N2O2
Chemical Name:
1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
Synonyms:
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one;SCHEMBL6991836;DTXSID80443835;ZINC34400125;AKOS015917782;AM20090731;1-(4-aminobenzoyl)-3,4-dihydro-1H-benzoazepin-5(2H)-one;1-(4-Amino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one;1-(4-aminobenzoyl)-2,3,4,5-tetrahydro1H-1-benzazepin-5-one;1-(4-Aminobenzoyl)-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one

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1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one Basic Attributes

Molecular Weight：

280.32114

Exact Mass：

280.121185

DSSTox ID：

DTXSID80443835

Characteristics

PSA：

63.4

XLogP3：

1.72

Density：

1.3±0.1 g/cm3

Boiling Point：

520.3±50.0 °C at 760 mmHg

Flash Point：

268.5±30.1 °C

Refractive Index：

1.651

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:280.32
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:280.121177757
Monoisotopic Mass:280.121177757
Topological Polar Surface Area:63.4
Heavy Atom Count:21
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one

Basic Attributes
Characteristics
Computed Properties

1-(4-AMino-benzoyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one

SDS

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