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N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE

N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE structure

CAS No:
83621-33-4
Formula:
C14H17NO3
Chemical Name:
N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE
Synonyms:
N-CBZ-PERHYDROAZEPIN-4-ONE;N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE;PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED;AZEPAN-4-ONE, N-CBZ PROTECTED;4-OXO-AZEPANE-1-CARBOXYLIC ACID BENZYL ESTER;1-Cbz-hexahydro-4-oxo-1H-azepine;N-CBZ-4-perhydroazepinone N-CBZ-perhydroazepin-4-one;N-CBZ-4-perhydroazepinone

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N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE Basic Attributes

Molecular Weight：

247.29

Exact Mass：

247.12084340 g/mol

DSSTox ID：

DTXSID60363769

HScode：

2933990090

Characteristics

PSA：

46.61000

XLogP3：

2.31610

Density：

1.177±0.06 g/cm3

Boiling Point：

398.2±42.0 °C(Predicted)

Flash Point：

194.612ºC

Refractive Index：

1.549

PKA：

-1.55±0.20

Safety Information

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:247.29
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:247.12084340
Monoisotopic Mass:247.12084340
Topological Polar Surface Area:46.6
Heavy Atom Count:18
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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