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255047-12-2 | 4-tert-Butyl-1H-pyrazol-3-amine
CAS No: 255047-12-2 Catalog No: AG01FEYA MDL No:
Product Description
Catalog Number:
AG01FEYA
Chemical Name:
4-tert-Butyl-1H-pyrazol-3-amine
CAS Number:
255047-12-2
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
4-tert-butyl-1H-pyrazol-5-amine
InChI:
InChI=1S/C7H13N3/c1-7(2,3)5-4-9-10-6(5)8/h4H,1-3H3,(H3,8,9,10)
InChI Key:
MIBCWKUBUXAMCS-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]nc1N)(C)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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