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Details

Stereochemistry ACHIRAL
Molecular Formula C11H26N2.C2H4O2
Molecular Weight 246.3895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-OCTYL-1,3-PROPANEDIAMINE MONOACETATE

SMILES

CC(O)=O.CCCCCCCCNCCCN

InChI

InChIKey=YHGSAGWDECGLSC-UHFFFAOYSA-N
InChI=1S/C11H26N2.C2H4O2/c1-2-3-4-5-6-7-10-13-11-8-9-12;1-2(3)4/h13H,2-12H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C11H26N2
Molecular Weight 186.3375
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H4O2
Molecular Weight 60.052
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 08:05:19 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:19 GMT 2023
Record UNII
88NSS01UDV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OCTYL-1,3-PROPANEDIAMINE MONOACETATE
Systematic Name English
N1-OCTYLPROPANE-1,3-DIAMINE MONOACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
90479620
Created by admin on Sat Dec 16 08:05:19 GMT 2023 , Edited by admin on Sat Dec 16 08:05:19 GMT 2023
PRIMARY
FDA UNII
88NSS01UDV
Created by admin on Sat Dec 16 08:05:19 GMT 2023 , Edited by admin on Sat Dec 16 08:05:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE