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N,N-Diallylacetamide

HCID 241027
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Basic information

CAS
6296-61-3
Standard SMILES
C=CCN(CC=C)C(C)=O
InChIKey
BGQJNGISTPIALH-UHFFFAOYSA-N
Molecular formula
C8H13NO
Average molar mass
139.19 g/mol
Monoisotopic mass
139.09971404

Names & identifiers

Preferred name
N,N-Diallylacetamide
IUPAC
N,N-bis(prop-2-enyl)acetamide

Names & synonyms

N,N-DiallylacetamideN,N-bis(prop-2-en-1-yl)acetamide6296-61-3N,N-bis(prop-2-enyl)acetamideAcetamide, N,N-di-2-propenyl-N-acetyldiallylamineNSC48108N,N-diallyl-acetamideSCHEMBL173228SCHEMBL3258454SCHEMBL5480102SCHEMBL11616346
Show more names
DTXSID60978817BGQJNGISTPIALH-UHFFFAOYSA-NGAA29661N,N-Di(prop-2-en-1-yl)acetamideNSC54289NSC-48108NSC-54289AKOS003847006

Database identifiers

CAS
6296-61-3
PubChem CID
241027
DTXSID
DTXSID60978817
EC Number
160-833-1
Nikkaji
J1.106.988F

Properties

Computed structural properties

XLogP
1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
130

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Related reactions

2 records
New reaction record
HRID 477579 reaction equation
HRID 477579As productuspto-grants-1989_12
HRID 690503 reaction equation
HRID 690503As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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