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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO2
Molecular Weight 209.2848
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAMETHAN, (S)-

SMILES

CCCCNC[C@@H](O)C1=CC=C(O)C=C1

InChI

InChIKey=RDUHXGIIUDVSHR-GFCCVEGCSA-N
InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H19NO2
Molecular Weight 209.2848
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 16:34:58 UTC 2019
Edited
by admin
on Tue Oct 22 16:34:58 UTC 2019
Record UNII
04HHY2247F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAMETHAN, (S)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((BUTYLAMINO)METHYL)-4-HYDROXY-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
2057152
Created by admin on Tue Oct 22 16:34:58 UTC 2019 , Edited by admin on Tue Oct 22 16:34:58 UTC 2019
PRIMARY
CAS
949926-33-4
Created by admin on Tue Oct 22 16:34:58 UTC 2019 , Edited by admin on Tue Oct 22 16:34:58 UTC 2019
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
SALT/SOLVATE -> PARENT