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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO
Molecular Weight 191.2695
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTEDRONE

SMILES

CCCC(=O)C(NC)C1=CC=CC=C1

InChI

InChIKey=ILGRTMNCRBDXBI-UHFFFAOYSA-N
InChI=1S/C12H17NO/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17NO
Molecular Weight 191.2695
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:04 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:04 GMT 2023
Record UNII
07ZR3U1KET
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTEDRONE
Common Name English
2-PENTANONE, 1-(METHYLAMINO)-1-PHENYL-
Systematic Name English
1-METHYLAMINO-1-PHENYLPENTAN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
91710915
Created by admin on Sat Dec 16 11:28:04 GMT 2023 , Edited by admin on Sat Dec 16 11:28:04 GMT 2023
PRIMARY
CAS
1429402-11-8
Created by admin on Sat Dec 16 11:28:04 GMT 2023 , Edited by admin on Sat Dec 16 11:28:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID101043084
Created by admin on Sat Dec 16 11:28:04 GMT 2023 , Edited by admin on Sat Dec 16 11:28:04 GMT 2023
PRIMARY
FDA UNII
07ZR3U1KET
Created by admin on Sat Dec 16 11:28:04 GMT 2023 , Edited by admin on Sat Dec 16 11:28:04 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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