Home Sulfos (3,5-Dimethyl-1H-pyrazol-4-yl)methanamine dimethanesulfonate

(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine dimethanesulfonate

CAS No.:
1559059-71-0
Catalog Number:
AG00J31E
Molecular Formula:
C8H19N3O6S2
Molecular Weight:
317.3830
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
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United States
$168
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Product Description
Catalog Number:
AG00J31E
Chemical Name:
(3,5-Dimethyl-1H-pyrazol-4-yl)methanamine dimethanesulfonate
CAS Number:
1559059-71-0
Molecular Formula:
C8H19N3O6S2
Molecular Weight:
317.3830
MDL Number:
MFCD27966339
IUPAC Name:
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;methanesulfonic acid
InChI:
InChI=1S/C6H11N3.2CH4O3S/c1-4-6(3-7)5(2)9-8-4;2*1-5(2,3)4/h3,7H2,1-2H3,(H,8,9);2*1H3,(H,2,3,4)
InChI Key:
QKTSXEKABLXQCO-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.NCc1c(C)n[nH]c1C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
317.375g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties