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Details

Stereochemistry ACHIRAL
Molecular Formula C13H30N2.C2H4O2
Molecular Weight 274.4427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(O)=O.CCCCCCCCCCNCCCN

InChI

InChIKey=BPTRHINTOMABOY-UHFFFAOYSA-N
InChI=1S/C13H30N2.C2H4O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14;1-2(3)4/h15H,2-14H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI
Molecular Formula C13H30N2
Molecular Weight 214.3907
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
M7C8W51S6D
Record Status Validated (UNII)
Record Version
NIH
NCATS
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