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1197235-02-1 | 1H-Pyrazole-4-methanamine, 1,3-dimethyl-, hydrochloride (1:1)
CAS No: 1197235-02-1 Catalog No: AG000PJB MDL No:MFCD11501015
Product Description
Catalog Number:
AG000PJB
Chemical Name:
1H-Pyrazole-4-methanamine, 1,3-dimethyl-, hydrochloride (1:1)
CAS Number:
1197235-02-1
Molecular Formula:
C6H12ClN3
Molecular Weight:
161.6326
MDL Number:
MFCD11501015
IUPAC Name:
(1,3-dimethylpyrazol-4-yl)methanamine;hydrochloride
InChI:
InChI=1S/C6H11N3.ClH/c1-5-6(3-7)4-9(2)8-5;/h4H,3,7H2,1-2H3;1H
InChI Key:
GWWBOXXGYBPWQS-UHFFFAOYSA-N
SMILES:
NCc1cn(nc1C)C.Cl
Properties
Complexity:
94.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.633g/mol
Monoisotopic Mass:
161.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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