| CAS Number | 33986-15-1 |
| Catalog Number | AG003S3F(AGN-PC-078749) |
| Chemical Name | Methylaminoacetonitrile sulfate |
| IUPAC Name | 2-(methylamino)acetonitrile;sulfuric acid |
| InChI | InChI=1S/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(H2,1,2,3,4) |
| InChI Key | SEBZVAFMXLJJNO-UHFFFAOYSA-N |
| MDL Number | MFCD00035599 |
| Molecular Formula | C3H8N2O4S |
| Molecular Weight | 168.1716 |
| SMILES | CNCC#N.OS(O)(=O)=O |
| Synonyms | Methylaminoacetonitrile sulfate,
33986-15-1,
ACETONITRILE, METHYLAMINO-, SULFATE,
METHYLAMINOACETONITRILESULFATE,
ACMC-209i4a,
CTK1C2950,
2-(methylamino)acetonitrile sulfate,
ANW-27752,
METHYLAMINOACETONITRILE SILFATE,
MFCD00035599,
AKOS024334036,
MCULE-8267124503,
ACM33986151,
RT-001288,
FT-0639141,
N-METHYLGLYCINONITRILE SULFATE,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.167g/mol |
| Monoisotopic Mass | 168.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302+H312+H332-H315-H319
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Packing Group
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Precautionary statements
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P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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UN Code
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Certificate of Analysis
Lot Number