HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

buta-1,3-diene;N-(hydroxymethyl)prop-2-enamide;prop-2-enenitrile

HCID 168567
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
26603-98-5
Standard SMILES
C=CC#N.C=CC(=O)NCO.C=CC=C
InChIKey
JXIPJNSTRASLEW-UHFFFAOYSA-N
Molecular formula
C11H16N2O2
Average molar mass
208.26 g/mol
Monoisotopic mass
208.12117776

Names & identifiers

Preferred name
buta-1,3-diene;N-(hydroxymethyl)prop-2-enamide;prop-2-enenitrile
IUPAC
buta-1,3-diene;N-(hydroxymethyl)prop-2-enamide;prop-2-enenitrile
English name
2-Propenamide, N-(hydroxymethyl)-, polymer with 1,3-butadiene and 2-propenenitrile
Molecular formula
C11H16N2O2
Molecular weight
208.26

Names & synonyms

SCHEMBL11565207JXIPJNSTRASLEW-UHFFFAOYSA-N2-Propenamide, N-(hydroxymethyl)-, polymer with 1,3-butadiene and 2-propenenitrile

Database identifiers

CAS
26603-98-5
PubChem CID
168567

Properties

Computed structural properties

Topological polar surface area
73.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
156

Physicochemical properties

EPA Substance Registry System
2 · 2-Propenamide, N-(hydroxymethyl)-, polymer with 1,3-butadiene and 2-propenenitrile (26603-98-5)
TSCA
TSCA listed

Safety & regulation

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

Safety data

tsca
TSCA listed

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes