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1396762-20-1 | 1H-Pyrazole-4-methanamine, α,1-dimethyl-, hydrochloride (1:1)
CAS No: 1396762-20-1 Catalog No: AG001BHI MDL No:
Product Description
Catalog Number:
AG001BHI
Chemical Name:
1H-Pyrazole-4-methanamine, α,1-dimethyl-, hydrochloride (1:1)
CAS Number:
1396762-20-1
Molecular Formula:
C6H12ClN3
Molecular Weight:
161.6326
IUPAC Name:
1-(1-methylpyrazol-4-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C6H11N3.ClH/c1-5(7)6-3-8-9(2)4-6;/h3-5H,7H2,1-2H3;1H
InChI Key:
KRCFGJPYGKFYQB-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C(N)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:
1
Undefined Bond Stereocenter Count:
0
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