Basic information
- CAS
5466-22-8- Standard SMILES
N#CC[NH3+].N#CC[NH3+].O=S(=O)([O-])[O-]- InChIKey
NQHWLBZZBSYIPI-UHFFFAOYSA-N- Molecular formula
- C4H10N4O4S
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.04227599
Names & identifiers
- Preferred name
- Bis((cyanomethyl)ammonium) sulphate
- IUPAC
- cyanomethylazanium;sulfate
- English name
- Aminoacetonitrile sulfate
- Molecular formula
- C2H6N2O4S
- Molecular weight
- 154.14
Names & synonyms
Bis((cyanomethyl)ammonium) sulphateBis[(cyanomethyl)ammonium] sulphateRefChem:568477cyanomethylazanium;sulfateDTXSID401362372NS00080745CYANOMETHYLAMINE SULFATE2-Aminoacetonitrile sulfateSulfate (2:1)AminoacetoitrileAminoacetonitrile suaminoacetonitrilsiran
Show more names
Glycine nitrile sulfateaminoacetoitrilesulfateamino-acetonitril sulfateAMINOACETONITRILE SULFATE
Database identifiers
- CAS
5466-22-8- PubChem CID
- 21628
- DTXSID
DTXSID401362372
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 160 °C · 160°C (dec.)
- storage temp.
- 30 °C · Store below +30°C.
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,412
- BRN
- 3916094 · 3916094
- InChI
- InChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)
- InChIKey
- GTGIXCPOLMWQTC-UHFFFAOYSA-N
- SMILES
- C(N)C#N.S(O)(O)(=O)=O
- CAS DataBase Reference
- 5466 · 5466-22-8(CAS DataBase Reference)
- FDA UNII
- 67 FLB957GP · 67FLB957GP
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
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
- wgk
- WGK 3
- rtecs
- MC2100000
- ridadr
- 2811
- hs_code
- 29269095
- risk_code
- 24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- safety_code
- 36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280h-P305+P351+P338-P309-P310-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Chemistry & industry
Applications
UsesAminoacetonitrile sulfate is used in organic synthesis, catalytic agent, petrochemical additive.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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