U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C10H23NO4
Molecular Weight 221.2939
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3′-(Butylimino)bis[1,2-propanediol]

SMILES

CCCCN(CC(O)CO)CC(O)CO

InChI

InChIKey=JALKXPURISYHHL-UHFFFAOYSA-N
InChI=1S/C10H23NO4/c1-2-3-4-11(5-9(14)7-12)6-10(15)8-13/h9-10,12-15H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H23NO4
Molecular Weight 221.2939
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:06:40 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:40 GMT 2023
Record UNII
6F6XS5YCB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3′-(Butylimino)bis[1,2-propanediol]
Systematic Name English
3,3'-(Butylimino)bispropane-1,2-diol
Systematic Name English
1,2-Propanediol, 3,3′-(butylimino)bis-
Systematic Name English
Code System Code Type Description
CAS
65838-95-1
Created by admin on Sat Dec 16 19:06:40 GMT 2023 , Edited by admin on Sat Dec 16 19:06:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID40984330
Created by admin on Sat Dec 16 19:06:40 GMT 2023 , Edited by admin on Sat Dec 16 19:06:40 GMT 2023
PRIMARY
PUBCHEM
6455201
Created by admin on Sat Dec 16 19:06:40 GMT 2023 , Edited by admin on Sat Dec 16 19:06:40 GMT 2023
PRIMARY
FDA UNII
6F6XS5YCB6
Created by admin on Sat Dec 16 19:06:40 GMT 2023 , Edited by admin on Sat Dec 16 19:06:40 GMT 2023
PRIMARY