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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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149,124
Substance Class Chemical
Record UNII
88NSS01UDV
Record Status Validated (UNII)
Record Version
NIH
NCATS
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