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Details

Stereochemistry ACHIRAL
Molecular Formula C3H6N2.H2O4S
Molecular Weight 168.172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methylaminoacetonitrile bisulfate

SMILES

CNCC#N.OS(O)(=O)=O

InChI

InChIKey=SEBZVAFMXLJJNO-UHFFFAOYSA-N
InChI=1S/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(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 C3H6N2
Molecular Weight 70.0931
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 Wed Apr 02 18:02:48 GMT 2025
Edited
by admin
on Wed Apr 02 18:02:48 GMT 2025
Record UNII
QGL6MRU8EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acetonitrile, 2-(methylamino)-, sulfate
Preferred Name English
Methylaminoacetonitrile bisulfate
Systematic Name English
Acetonitrile, 2-(methylamino)-, sulfate (1:1)
Systematic Name English
Code System Code Type Description
CAS
33986-15-1
Created by admin on Wed Apr 02 18:02:48 GMT 2025 , Edited by admin on Wed Apr 02 18:02:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID80955569
Created by admin on Wed Apr 02 18:02:48 GMT 2025 , Edited by admin on Wed Apr 02 18:02:48 GMT 2025
PRIMARY
FDA UNII
QGL6MRU8EQ
Created by admin on Wed Apr 02 18:02:48 GMT 2025 , Edited by admin on Wed Apr 02 18:02:48 GMT 2025
PRIMARY
PUBCHEM
44721378
Created by admin on Wed Apr 02 18:02:48 GMT 2025 , Edited by admin on Wed Apr 02 18:02:48 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE