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1000896-45-6 | 1H-Pyrazol-3-amine, 5-(2-methoxy-1-methylethoxy)-
CAS No: 1000896-45-6 Catalog No: AG0000VS MDL No:MFCD16619921
Product Description
Catalog Number:
AG0000VS
Chemical Name:
1H-Pyrazol-3-amine, 5-(2-methoxy-1-methylethoxy)-
CAS Number:
1000896-45-6
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
MDL Number:
MFCD16619921
IUPAC Name:
3-(1-methoxypropan-2-yloxy)-1H-pyrazol-5-amine
InChI:
InChI=1S/C7H13N3O2/c1-5(4-11-2)12-7-3-6(8)9-10-7/h3,5H,4H2,1-2H3,(H3,8,9,10)
InChI Key:
AMARPLDTYHEUNQ-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(n[nH]1)N)COC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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