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4-Acetamidocyclohexanone

4-Acetamidocyclohexanone structure

CAS No:
27514-08-5
Formula:
C8H13NO2
Chemical Name:
4-Acetamidocyclohexanone
Synonyms:
Acetamide,N-(4-oxocyclohexyl)-;N-(4-Oxocyclohexyl)acetamide;4-Acetamidocyclohexanone;4-(Acetylamino)cyclohexanone
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White solid

4-Acetamidocyclohexanone Basic Attributes

Molecular Weight：

155.19

Exact Mass：

155.19

EC Number：

1806241-263-5

DSSTox ID：

DTXSID40337089

HScode：

2924299090

Characteristics

PSA：

46.2

XLogP3：

-0.2

Appearance：

Off-white Solid

Density：

1.1±0.1 g/cm3

Melting Point：

134-135 °C

Boiling Point：

359.1°C at 760 mmHg

Flash Point：

168.9±25.0 °C

Refractive Index：

1.476

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 45 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Acetamidocyclohexanone Use and Manufacturing

A stirred solution of Bromine (112g) was added dropwise to a solution of C. Synthesis of The preferred compounds of formula (3) are as follows: ... 15. 4-dimethylaminocyclohexanone 16. The preferred compounds of formula (3) are as follows: 1. cyclohexanone ... 12. 4-methyloxycyclohexanone 13. 4-nonyloxycyclohexanone 14. 4-methylaminocyclohexanone 15. 4-dimethylaminocyclohexanone 16.

Computed Properties

Molecular Weight:155.19
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:155.094628657
Monoisotopic Mass:155.094628657
Topological Polar Surface Area:46.2
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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