Basic information
- CAS
598-65-2- Standard SMILES
CN(C)C(=N)N.CN(C)C(=N)N.O=S(=O)(O)O- InChIKey
QSCHFHVDZCPIKX-UHFFFAOYSA-N- Molecular formula
- C6H20N6O4S
- Average molar mass
- 272.33 g/mol
- Monoisotopic mass
- 272.12667431
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- N,N-Dimethylguanidine
- IUPAC
- bis(1,1-dimethylguanidine);sulfuric acid
- English name
- 1,1-Dimethylguanidine sulfate
- Molecular formula
- C3H11N3O4S
- Molecular weight
- 185.2
Names & synonyms
RefChem:161300209-946-01,1-Dimethylguanidine6145-42-2N,N-Dimethylguanidine598-65-21,1-dimethylguanidine sulfate(2:1)Guanidine, N,N-dimethyl-, sulfate (2:1)1,1-Dimethylguanidine sulfate salt1,1-dimethylguanidine;sulfuric acidMFCD00013131Metformin Impurity 16
Show more names
Carbamimidoyl(dimethyl)azanium sulfateNSC37151,1-DimethylguaN,N-DIMETHYL GUANIDINE H2SO4N,N-DIMETHYLGUANIDINESULPHATEMetformin Impurity 10 SulfateN,N-DIMETHYLGUANIDINE SULFATEMetformin Impurity 32 Sulfate1,1-Dimethylguanidine sulfateN,N-Dimethyl-guanidinesulfurate
N,N-Dimethylguanidine Hemisulfate; N,N-Dimethylguanidine Sulfate (2:1); N,N-Dimethylguanidinium Sulfate (2:1); N1,N1-Dimethylguanidine Sulfate (2:1)N,N-DimethylguanidinsulfateSCHEMBL1025495DTXSID50605121,1-Dimethyl guanidinium sulfate1,1-dimethylguanidine hemisulfateQSCHFHVDZCPIKX-UHFFFAOYSA-N1,1-dimethylguanidine,sulfuric acid
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 300 °C · 300 °C (dec.)(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Powder
- color
- White to off-white
- BRN
- 3916505 · 3916505
- InChI
- 1S/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)
- InChIKey
- QSCHFHVDZCPIKX-UHFFFAOYSA-N
- SMILES
- OS(O)(=O)=O.CN(C)C(N)=N.CN(C)C(N)=N
- CAS DataBase Reference
- 598 · 598-65-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Guanidine, N,N-dimethyl-, sulfate (2:1) (598-65-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGuanidine, N,N-dimethyl-, sulfate (2:1): INACTIVE
Applications
Uses1,1-Dimethylguanidine sulfate salt has been employed:as peroxide activator for bleaching cellulosic textilesin the synthesis of N2,N2-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrimidine-2,5-diamine, substrate for the modified Pictet-Spengler reaction
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers86 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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