Cyclopropanecarboxamide

HCID 80376CAS 6228-73-5

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Basic information

Standard SMILES: NC(=O)C1CC1
InChIKey: AIMMVWOEOZMVMS-UHFFFAOYSA-N
Molecular formula: C4H7NO
Average molar mass: 85.1 g/mol
Monoisotopic mass: 85.05276384

Overview

Cyclopropanecarboxamide is a cyclopropylcarboxamide.

Names & identifiers

Preferred name: Cyclopropanecarboxamide
IUPAC: cyclopropanecarboxamide
English name: Cyclopropanecarboxamide
Molecular formula: C4H7NO
Molecular weight: 85.1

Names & synonyms

Cyclopropanecarboxamide6228-73-5CarbamoylcyclopropaneNA7A3S4MUTCHEBI:51457NSC-402033DTXSID7064150RefChem:581136DTXCID2043292228-332-3CyclopropylcarboxamideCyclopropyl carboxamide

Show more names

WinArcadoZabara)Seed OneWin AdmirCPC-AmideQR 711-d10CARBOXYAMIDEBisguadine-d10Sterwin 904-d10

cyclopropancarboxamide6628-73-5MFCD00013729cyclopropanamidecyclopropancarboxamidLenvatinib Impurity 711-cyclopropanecarboxamideEINECS 228-332-3

Database identifiers

CAS: 6228-73-5
PubChem CID: 80376
DTXSID: DTXSID7064150
ChEMBL: CHEMBL274503
ChEBI: CHEBI:51457
UNII: NA7A3S4MUT
EC Number: 228-332-3
Nikkaji: J211.467D

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 75.6

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point: 120 · 120-122°C
Boiling point: 248.5 · 248.5±7.0 °C(Predicted)
Density: 1.187 · 1.187±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 16.6 · 16.60±0.20(Predicted)
color: White to Yellow to Orange
Water Solubility: Insoluble in water.
BRN: 1924346 · 1924346
InChI: InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey: AIMMVWOEOZMVMS-UHFFFAOYSA-N
SMILES: C1(C(N)=O)CC1
CAS DataBase Reference: 6228 · 6228-73-5(CAS DataBase Reference)
FDA UNII: 7 A3S4MUT · NA7A3S4MUT
EPA Substance Registry System: Cyclopropanecarboxamide (6228-73-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.