HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

N,N-Diallylacrylamide

HCID 95114
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3085-68-5
Standard SMILES
C=CCN(CC=C)C(=O)C=C
InChIKey
BLYOHBPLFYXHQA-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Names & identifiers

Preferred name
N,N-Diallylacrylamide
IUPAC
N,N-bis(prop-2-enyl)prop-2-enamide
English name
N,N-DIALLYLACRYLAMIDE
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

N,N-Diallylacrylamide3085-68-52-Propenamide, N,N-di-2-propenyl-QZY3GNY6LIUNII-QZY3GNY6LINSC 18611NSC-18611AI3-15673ACRYLAMIDE, N,N-DIALLYL-DTXSID101848652-Propenamide, N,N-di-2-propen-1-yl-N,N-DI-2-PROPEN-1-YL-2-PROPENAMIDE
Show more names
N,N-di(prop-2-enyl)prop-2-enamide
RefChem:161126DTXCID50107356696-281-8BLYOHBPLFYXHQA-UHFFFAOYSA-NN,N-bis(prop-2-enyl)prop-2-enamideNSC18611n,n-diallylacrylamidMFCD00048166

Database identifiers

CAS
3085-68-5
PubChem CID
95114
DTXSID
DTXSID10184865
UNII
QZY3GNY6LI
EC Number
696-281-8
Nikkaji
J491.532A

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
11
Formal charge
0
Complexity
162

Physicochemical properties

Boiling point
108 · 108-110°C 3mm
Density
0.906 · 0.906±0.06 g/cm3(Predicted)
pka
-0.95 · -0.95±0.70(Predicted)
FDA UNII
3 GNY6LI · QZY3GNY6LI
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H319-H332-H315-H335
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Risk Statements
20 · 20/21/22-36/37/38
Safety Statements
26 · 26-36/37/39

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

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

Safety data

risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H302-H312-H319-H332-H315-H335
Precautionary statements
P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312

Related reactions

2 records
New reaction record
HRID 583361 reaction equation
HRID 583361As reactantuspto-grants-1999_07
HRID 695941 reaction equation
HRID 695941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes