Cyanomethyl(methyl)azanium;hydrogen sulfate
Basic information
- CAS
33986-15-1- Standard SMILES
C[NH2+]CC#N.O=S(=O)([O-])O- InChIKey
SEBZVAFMXLJJNO-UHFFFAOYSA-N- Molecular formula
- C3H8N2O4S
- Average molar mass
- 168.17 g/mol
- Monoisotopic mass
- 168.02047791
Overview
See also: Methylaminoacetonitrile Sulfate (preferred).
Names & identifiers
- Preferred name
- Cyanomethyl(methyl)azanium;hydrogen sulfate
- IUPAC
- cyanomethyl(methyl)azanium;hydrogen sulfate
- English name
- Methylaminoacetonitrile sulfate
- Molecular formula
- C3H8N2O4S
- Molecular weight
- 168.17
Names & synonyms
D91284usafa-8104SARCOSINONITRILE SULFATESARCOSINE NITRILE SULFATEmethylamino-acetonitrilsulfateN-METHYLGLYCINONITRILE SULFATEMethylaminoacetonitrilesilfateMethylaminoacetonitrile silfateN-METHYLGLYCINE NITRILE SULFATEMethylaminoacetonitrile sulfateMethylaminoacetonitrileSulfate>
Database identifiers
- CAS
33986-15-1- PubChem CID
- 36651
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 159 to · 159.0 to 163.0 °C
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- almost transparency
- CAS DataBase Reference
- 33986 · 33986-15-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- RTECS
- 875000 · AM0875000
- HS Code
- 2926.9 · 2926.90.1700
- Toxicity
- 50 · mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),National Technical Information Service. Vol. AD277-689,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- AM0875000
- hs_code
- 2926.90.1700
- Toxicity
- mouse,LD50,intraperitoneal,1gm/kg (1000mg/kg),National Technical Information Service. Vol. AD277-689,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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