CAS 23350-58-5 2-Butenamide (HCID 5354487)

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Basic information

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

Names & identifiers

Preferred name: 2-Butenamide
IUPAC: (E)-but-2-enamide
English name: Crotonamide
Molecular formula: C4H7NO
Molecular weight: 85.1

Names & synonyms

2-Butenamide23350-58-5BRN 0506110AI3-165052-Butenamide (9CI)DTXSID301030885RefChem:467448DTXCID001515953CROTONAMIDEtrans-2-Butenamide(E)-but-2-enamide625-37-6

Show more names

NSC 11802(E)-CrotonaMidetrans-1-(AMinocarbonyl)-2-Methyl-ethylene

trans-Crotonamidebut-2-enamide(2E)-but-2-enamide2-Butenamide, (2E)-MFCD000598592-Butenamide, (E)-Crotonamide, (E)-8C4LV3GQ8L

Database identifiers

CAS: 23350-58-5、625-37-6
PubChem CID: 5354487
ChEMBL: CHEMBL58562
ChEBI: CHEBI:234498
UNII: 8C4LV3GQ8L
EC Number: 178-211-3、675-698-9
Nikkaji: J2.288H、J67.723J

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: 140 · 140-143°C
Boiling point: 156.6 °C · 156.6°C (rough estimate)
Density: 0.9461 · 0.9461
refractive index: 1.442 · 1.4420
solubility: Methanol (Sparingly)
form: Solid
pka: 15.78 · 15.78±0.50(Predicted)
color: White to Off-White
Stability: Light Sensitive
FDA UNII: 8 C4LV3GQ8L · 8C4LV3GQ8L

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.