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Details

Stereochemistry ACHIRAL
Molecular Formula C21H44N2.C2H4O2
Molecular Weight 384.6394
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

CC(O)=O.CCCCCCCC\C=C/CCCCCCCCNCCCN

InChI

InChIKey=VRZCLRBQXKWXBG-KVVVOXFISA-N
InChI=1S/C21H44N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2(3)4/h9-10,23H,2-8,11-22H2,1H3;1H3,(H,3,4)/b10-9-;

HIDE SMILES / InChI

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

Molecular Formula C21H44N2
Molecular Weight 324.5875
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:04 GMT 2023
Record UNII
JT5X446V1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OLEYL-1,3-PROPANEDIAMINE MONOACETATE
Systematic Name English
1,3-PROPANEDIAMINE, N-(9Z)-9-OCTADECENYL-, ACETATE
Systematic Name English
1,3-PROPANEDIAMINE, N-9-OCTADECENYL-, ACETATE (1:1), (Z)-
Systematic Name English
N-OLEYL-1,3-PROPANEDIAMINE ACETATE
Systematic Name English
N-((Z)-OCTADEC-9-ENYL)PROPANE-1,3-DIAMINE ACETATE
Systematic Name English
1,3-PROPANEDIAMINE, N-9-OCTADECENYL-, MONOACETATE, (Z)-
Systematic Name English
1,3-PROPANEDIAMINE, N1-((9Z)-9-OCTADECEN-1-YL)-, ACETATE (1:1)
Systematic Name English
N-((9Z)-OCTADEC-9-EN-1-YL)PROPANE-1,3-DIAMINE ACETATE (1:1)
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 67327
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
272-507-7
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
PRIMARY
PUBCHEM
6437673
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
PRIMARY
CAS
68856-30-4
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
JT5X446V1O
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
PRIMARY
CAS
7173-66-2
Created by admin on Sat Dec 16 08:43:04 GMT 2023 , Edited by admin on Sat Dec 16 08:43:04 GMT 2023
PRIMARY
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