Cyclohexaneacetamide

HCID 95078

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Basic information

CAS: 1503-87-3
Standard SMILES: NC(=O)CC1CCCCC1
InChIKey: DKLQJNUJPSHYQG-UHFFFAOYSA-N
Molecular formula: C8H15NO
Average molar mass: 141.21 g/mol
Monoisotopic mass: 141.1153641

Names & identifiers

Preferred name: Cyclohexaneacetamide
IUPAC: 2-cyclohexylacetamide
English name: Cyclohexaneacetamide
Molecular formula: C8H15NO
Molecular weight: 141.21

Names & synonyms

1503-87-3CyclohexaneacetamideNSC 16250BRN 2041325DTXSID001645154-09-00-00040 (Beilstein Handbook Reference)RefChem:129547DTXCID20870062-cyclohexylacetamideMFCD01734484cyclohexylacetamideNSC16250

Show more names

SCHEMBL24985SCHEMBL24986SCHEMBL176778SCHEMBL2399769SCHEMBL7523411SCHEMBL27861148DKLQJNUJPSHYQG-UHFFFAOYSA-NBAA50387

Database identifiers

CAS: 1503-87-3
PubChem CID: 95078
DTXSID: DTXSID00164515
EC Number: 982-759-6
Nikkaji: J829.139J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 168 · 168-169 °C
Boiling point: 301.3 · 301.3±11.0 °C(Predicted)
Density: 0.975 · 0.975±0.06 g/cm3(Predicted)
pka: 16.7 · 16.70±0.40(Predicted)
EWG's Food Scores: 1 · 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.