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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14N2O2.H2O
Molecular Weight 224.2563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLETHYLMALONAMIDE HYDRATE

SMILES

O.CCC(C(N)=O)(C(N)=O)C1=CC=CC=C1

InChI

InChIKey=FZSBWHZDTUPYRX-UHFFFAOYSA-N
InChI=1S/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
PHENYLETHYLMALONAMIDE HYDRATE
Systematic Name English
PROPANEDIAMIDE, 2-ETHYL-2-PHENYL-, HYDRATE (1:1)
Systematic Name English
PROPANEDIAMIDE, 2-ETHYL-2-PHENYL-, MONOHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
2724041
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID30369112
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
FDA UNII
27L1MIN7YR
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
CAS
80866-90-6
Created by admin on Sat Dec 16 11:28:03 UTC 2023 , Edited by admin on Sat Dec 16 11:28:03 UTC 2023
PRIMARY
NIH
NCATS
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