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Details

Stereochemistry ACHIRAL
Molecular Formula C17H27NO4
Molecular Weight 309.4006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl 4-[4-[N,N-bis(2-hydroxyethyl)amino]phenyl]butyrate

SMILES

CC(C)OC(=O)CCCC1=CC=C(C=C1)N(CCO)CCO

InChI

InChIKey=QDRCRYJKFQEJNJ-UHFFFAOYSA-N
InChI=1S/C17H27NO4/c1-14(2)22-17(21)5-3-4-15-6-8-16(9-7-15)18(10-12-19)11-13-20/h6-9,14,19-20H,3-5,10-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H27NO4
Molecular Weight 309.4006
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:24:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:47 GMT 2023
Record UNII
BL2CG6Q3J8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isopropyl 4-[4-[N,N-bis(2-hydroxyethyl)amino]phenyl]butyrate
Systematic Name English
Benzenebutanoic acid, 4-[bis(2-hydroxyethyl)amino]-, 1-methylethyl ester
Systematic Name English
1-Methylethyl 4-[bis(2-hydroxyethyl)amino]benzenebutanoate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90240397
Created by admin on Sat Dec 16 12:24:47 GMT 2023 , Edited by admin on Sat Dec 16 12:24:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-868-6
Created by admin on Sat Dec 16 12:24:47 GMT 2023 , Edited by admin on Sat Dec 16 12:24:47 GMT 2023
PRIMARY
FDA UNII
BL2CG6Q3J8
Created by admin on Sat Dec 16 12:24:47 GMT 2023 , Edited by admin on Sat Dec 16 12:24:47 GMT 2023
PRIMARY
PUBCHEM
3023404
Created by admin on Sat Dec 16 12:24:47 GMT 2023 , Edited by admin on Sat Dec 16 12:24:47 GMT 2023
PRIMARY
CAS
94086-78-9
Created by admin on Sat Dec 16 12:24:47 GMT 2023 , Edited by admin on Sat Dec 16 12:24:47 GMT 2023
PRIMARY