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1174231-07-2 | 1H-Pyrazol-3-amine, 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-
CAS No: 1174231-07-2 Catalog No: AG000EB5 MDL No:
Product Description
Catalog Number:
AG000EB5
Chemical Name:
1H-Pyrazol-3-amine, 1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-
CAS Number:
1174231-07-2
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-amine
InChI:
InChI=1S/C9H15N3O2/c1-9(2)13-6-7(14-9)5-12-4-3-8(10)11-12/h3-4,7H,5-6H2,1-2H3,(H2,10,11)/t7-/m0/s1
InChI Key:
UJOGKOIBEFPJCN-ZETCQYMHSA-N
SMILES:
CC1(C)OC[C@H](O1)Cn1ccc(n1)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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