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Details

Stereochemistry ACHIRAL
Molecular Formula C13H29N3.C8H6O4
Molecular Weight 393.5203
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DODECYLGUANIDINE ACID PHTHALATE

SMILES

OC(=O)C1=C(C=CC=C1)C(O)=O.CCCCCCCCCCCCNC(N)=N

InChI

InChIKey=GMEJIJCFEDISEL-UHFFFAOYSA-N
InChI=1S/C13H29N3.C8H6O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;9-7(10)5-3-1-2-4-6(5)8(11)12/h2-12H2,1H3,(H4,14,15,16);1-4H,(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6O4
Molecular Weight 166.1308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H29N3
Molecular Weight 227.3895
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 Fri Dec 15 15:49:55 GMT 2023
Edited
by admin
on Fri Dec 15 15:49:55 GMT 2023
Record UNII
Z5J1GHQ53J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DODECYLGUANIDINE ACID PHTHALATE
Common Name English
DODECYLGUANIDINE PHTHALATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, COMPD. WITH N-DODECYLGUANIDINE (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
22093
Created by admin on Fri Dec 15 15:49:55 GMT 2023 , Edited by admin on Fri Dec 15 15:49:55 GMT 2023
PRIMARY
CAS
5835-86-9
Created by admin on Fri Dec 15 15:49:55 GMT 2023 , Edited by admin on Fri Dec 15 15:49:55 GMT 2023
PRIMARY
FDA UNII
Z5J1GHQ53J
Created by admin on Fri Dec 15 15:49:55 GMT 2023 , Edited by admin on Fri Dec 15 15:49:55 GMT 2023
PRIMARY
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