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155601-30-2

155601-30-2 | 1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1)

CAS No: 155601-30-2 Catalog No: AG001O10 MDL No:MFCD07368638

Product Description

Catalog Number:
AG001O10
Chemical Name:
1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1)
CAS Number:
155601-30-2
Molecular Formula:
C5H12N4O5S
Molecular Weight:
240.2376
MDL Number:
MFCD07368638
IUPAC Name:
2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
InChI:
InChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)
InChI Key:
IBCDZZHMNXXYAP-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.OCCn1ncc(c1N)N
UNII:
04N8KX12N6

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
240.234g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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