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2-Cyano-2-cyclohexylideneacetamide

2-Cyano-2-cyclohexylideneacetamide structure

CAS No:
704-16-5
Formula:
C9H12N2O
Chemical Name:
2-Cyano-2-cyclohexylideneacetamide
Synonyms:
Acetamide,2-cyano-2-cyclohexylidene-;Δ1,α-Cyclohexaneacetamide,α-cyano-;2-Cyano-2-cyclohexylideneacetamide;α-Cyano-α-cyclohexylideneacetamide;NSC 98308;2-Cyclohexylidene-2-cyanoacetamide

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Description

2-cyano-2-cyclohexylideneacetamide is a primary carboxamide.

2-Cyano-2-cyclohexylideneacetamide Basic Attributes

Molecular Weight：

164.20400

Exact Mass：

164.20

NSC Number：

98308

HScode：

2926909090

Characteristics

PSA：

66.88000

XLogP3：

1.95628

Density：

1.152g/cm3

Melting Point：

110-112 °C @ Solvent: Methanol

Boiling Point：

391.6ºC

Flash Point：

190.6ºC

Refractive Index：

1.538

Water Solubility：

>24.6 [ug/mL]

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:164.20
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.094963011
Monoisotopic Mass:164.094963011
Topological Polar Surface Area:66.9
Heavy Atom Count:12
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyano-2-cyclohexylideneacetamide

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

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