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Details

Stereochemistry MIXED
Molecular Formula C20H45N3
Molecular Weight 327.5914
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Propoctamine

SMILES

CCCCC(CC)CNCC(C)(N)CNCC(CC)CCCC

InChI

InChIKey=STNVDPRWLDHKCY-UHFFFAOYSA-N
InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C20H45N3
Molecular Weight 327.5914
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 19:34:01 UTC 2023
Edited
by admin
on Sat Dec 16 19:34:01 UTC 2023
Record UNII
ES8LGA4CLQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propoctamine
Common Name English
1,2,3-Propanetriamine, N<SUP>1</SUP>,N<SUP>3</SUP>-bis(2-ethylhexyl)-2-methyl-
Systematic Name English
N<SUP>1</SUP>,N<SUP>3</SUP>-Bis(2-ethylhexyl)-2-methyl-1,2,3-propanetriamine
Systematic Name English
N<SUP>1</SUP>,N<SUP>3</SUP>-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine
Common Name English
HEXETIDINE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
3687-16-9
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
FDA UNII
ES8LGA4CLQ
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
PUBCHEM
107147
Created by admin on Sat Dec 16 19:34:02 UTC 2023 , Edited by admin on Sat Dec 16 19:34:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY