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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11N.H2O4S
Molecular Weight 219.258
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYLAMINE SULFATE

SMILES

OS(O)(=O)=O.NCCC1=CC=CC=C1

InChI

InChIKey=CEGDZSHEIZACBG-UHFFFAOYSA-N
InChI=1S/C8H11N.H2O4S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7,9H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H11N
Molecular Weight 121.1796
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 Sat Dec 16 10:36:43 UTC 2023
Edited
by admin
on Sat Dec 16 10:36:43 UTC 2023
Record UNII
8G0H229LOR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYLAMINE SULFATE
Systematic Name English
PHENETHYLAMINE SULFATE (1:1)
Systematic Name English
BENZENEETHANAMINE SULFATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
71750-39-5
Created by admin on Sat Dec 16 10:36:43 UTC 2023 , Edited by admin on Sat Dec 16 10:36:43 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
8G0H229LOR
Created by admin on Sat Dec 16 10:36:43 UTC 2023 , Edited by admin on Sat Dec 16 10:36:43 UTC 2023
PRIMARY
CAS
209064-25-5
Created by admin on Sat Dec 16 10:36:43 UTC 2023 , Edited by admin on Sat Dec 16 10:36:43 UTC 2023
PRIMARY
PUBCHEM
3018261
Created by admin on Sat Dec 16 10:36:43 UTC 2023 , Edited by admin on Sat Dec 16 10:36:43 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE