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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N2O2.CH2O2
Molecular Weight 282.336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTETHAMINE FORMATE

SMILES

CC(C)CNCCOC(=O)c1ccc(cc1)N.C(=O)O

InChI

InChIKey=BZHXZJHJXDIDJU-UHFFFAOYSA-N
InChI=1S/C13H20N2O2.CH2O2/c1-10(2)9-15-7-8-17-13(16)11-3-5-12(14)6-4-11;2-1-3/h3-6,10,15H,7-9,14H2,1-2H3;1H,(H,2,3)

HIDE SMILES / InChI

Molecular Formula CH2O2
Molecular Weight 46.0254
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H20N2O2
Molecular Weight 236.3106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Sourcing
Substance Class Chemical
Created
by admin
on Sat Jun 26 15:14:33 UTC 2021
Edited
by admin
on Sat Jun 26 15:14:33 UTC 2021
Record UNII
N7626F65HF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTETHAMINE FORMATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C245
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
Code System Code Type Description
PUBCHEM
56841933
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
PRIMARY
NCI_THESAURUS
C83567
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
PRIMARY
FDA UNII
N7626F65HF
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
PRIMARY
EPA CompTox
614-41-5
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
PRIMARY
CAS
614-41-5
Created by admin on Sat Jun 26 15:14:34 UTC 2021 , Edited by admin on Sat Jun 26 15:14:34 UTC 2021
PRIMARY
Related Record Type Details
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PARENT -> SALT/SOLVATE