N,N-Diethylacrylamide

HCID 17583

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Basic information

CAS: 2675-94-7
Standard SMILES: C=CC(=O)N(CC)CC
InChIKey: OVHHHVAVHBHXAK-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: N,N-Diethylacrylamide
IUPAC: N,N-diethylprop-2-enamide
English name: N,N-Diethylacrylamide
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

N,N-Diethylacrylamide2675-94-72-Propenamide, N,N-diethyl-N,N-Diethyl-2-propenamideACRYLAMIDE, N,N-DIETHYL-UNII-3552P2JF26NSC 20951BRN 1750501AI3-157033552P2JF26NSC-209514-04-00-00358 (Beilstein Handbook Reference)

Show more names

DIETHYLACRYLAMIDEDEAADEAAmcontains <n,n-diethyl-acrylamidAlflutinib Impurity 11Acrylamide,N,N-diethyl-

ACRYLIC ACID DIETHYLAMIDEDTXSID10181258RefChem:161181DTXCID201037492-Propenamide, N,N-diethyl-(9CI)679-769-5OVHHHVAVHBHXAK-UHFFFAOYSA-NN,N-diethylprop-2-enamide

Database identifiers

CAS: 2675-94-7
PubChem CID: 17583
DTXSID: DTXSID10181258
UNII: 3552P2JF26
EC Number: 679-769-5
Nikkaji: J69.134H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 93 ℃/19mm · 93℃/19mm
Boiling point: 93 · 93-95°C 10mm
Density: 0.924 at · 0.924 at 25 °C
vapor pressure: 0.2 · 0.2-47.329Pa at 11.67-34.92℃
refractive index: 1.4676 · 1.4676 (589.3 nm 20℃)
Flash point: 88 ℃ · 88℃
storage temp.: 2 · 2-8°C
Water Solubility: Soluble in water
pka: -0.77 · -0.77±0.70(Predicted)
form: Liquid
color: Colorless to Light yellow
InChI: InChI=1S/C7H13NO/c1-4-7(9)8(5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKey: OVHHHVAVHBHXAK-UHFFFAOYSA-N
SMILES: C(N(CC)CC)(=O)C=C
LogP: 0.61 · 0.61-0.84 at 23-30℃ and pH7.17-7.28
Surface tension: 66 · 66-67.6mN/m at 1g/L and 20-20.05℃
FDA UNII: 3552 P2JF26 · 3552P2JF26
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38-51-36-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 1993 · UN 1993 / PGIII
WGK Germany: 3 · 3
RTECS: 3471000 · AS3471000
HS Code: 29241990 · 29241990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.