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Cyclohexanecarboxamide

Cyclohexanecarboxamide structure

CAS No:
1122-56-1
Formula:
C7H13NO
Chemical Name:
Cyclohexanecarboxamide
Synonyms:
Cyclohexanecarboxamide;Cyclohexylcarboxamide;Hexahydrobenzamide;NSC 16584
Categories:
Chemical Reagents > Organic Reagents

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Description

WHITE AMORPHOUS POWDER

Cyclohexanecarboxamide Basic Attributes

Molecular Weight：

127.187

Exact Mass：

127.18

EC Number：

214-351-4

UNII：

8A54A97YCR

NSC Number：

16584

DSSTox ID：

DTXSID1061528

HScode：

29242990

Characteristics

PSA：

43.1

XLogP3：

1.2

Density：

1.0083 (rough estimate)

Melting Point：

184-185 °C

Boiling Point：

235.98°C (rough estimate)

Flash Point：

123.2ºC

Refractive Index：

1.4210 (estimate)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-37/39-24/25

RTECS Number：

GU7875500

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 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

carboxide

Cyclohexanecarboxamide Use and Manufacturing

Manufacturing Info：

Cyclohexanecarboxamide: ACTIVE

Computed Properties

Molecular Weight:127.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:43.1
Heavy Atom Count:9
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes