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1820706-18-0 | N-Methyl-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CAS No: 1820706-18-0 Catalog No: AG01FLTW MDL No:MFCD29038152
Product Description
Catalog Number:
AG01FLTW
Chemical Name:
N-Methyl-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-amine dihydrochloride
CAS Number:
1820706-18-0
Molecular Formula:
C9H19Cl2N3
Molecular Weight:
240.1733
MDL Number:
MFCD29038152
IUPAC Name:
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C9H17N3.2ClH/c1-7-9(5-6-10-3)8(2)12(4)11-7;;/h10H,5-6H2,1-4H3;2*1H
InChI Key:
BYXAFQDWBJHZGA-UHFFFAOYSA-N
SMILES:
CNCCc1c(C)nn(c1C)C.Cl.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.172g/mol
Monoisotopic Mass:
239.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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