CAS 23350-58-5 But-2-enamide (HCID 31877)

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Basic information

CAS: 23350-58-5
Standard SMILES: CC=CC(N)=O
InChIKey: NQQRXZOPZBKCNF-UHFFFAOYSA-N
Molecular formula: C4H7NO
Average molar mass: 85.1 g/mol
Monoisotopic mass: 85.05276385

Names & identifiers

Preferred name: But-2-enamide
IUPAC: but-2-enamide
English name: Crotonamide
Molecular formula: C4H7NO
Molecular weight: 85.1

Names & synonyms

but-2-enamide2-butenoic acid amideBut-2-enoic acid amideSCHEMBL44613SCHEMBL292982orb3029095SCHEMBL1554368SCHEMBL5524541SCHEMBL6578754SCHEMBL6578757SCHEMBL6688176SCHEMBL11451075

Show more names

2-ButenamideAids018362CrotonamideAids-018362Crotonamide >(E)-but-2-enamideTRANS-2-BUTENAMIDE

SCHEMBL15660809NQQRXZOPZBKCNF-UHFFFAOYSA-NAKOS017262930

Database identifiers

CAS: 23350-58-5
PubChem CID: 31877
DTXSID: DTXSID301030885

Properties

Computed structural properties

XLogP: 0
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

Physicochemical properties

Melting point: 158 °C · 158°C
Boiling point: 218.7 · 218.7±13.0 °C(Predicted)
Density: 0.956 · 0.956±0.06 g/cm3(Predicted)
storage temp.: Amber Vial, Refrigerator
solubility: Methanol (Sparingly)
pka: 15.78 · 15.78±0.50(Predicted)
form: Solid
color: White to Off-White
Water Solubility: very faint turbidity
Stability: Light Sensitive
CAS DataBase Reference: 23350 · 23350-58-5
EWG's Food Scores: 1 · 1
FDA UNII: 8 C4LV3GQ8L · 8C4LV3GQ8L
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302

Safety & regulation

Safety data

rtecs: GQ0700000
hs_code: 2924.19.1150
Toxicity: mouse,LD50,oral,2724mg/kg (2724mg/kg),Archives of Toxicology. Vol. 47, Pg. 179, 1981.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338