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1855911-18-0 | {4-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}methanamine hydrochloride
CAS No: 1855911-18-0 Catalog No: AG01FK5V MDL No:
Product Description
Catalog Number:
AG01FK5V
Chemical Name:
{4-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}methanamine hydrochloride
CAS Number:
1855911-18-0
Molecular Formula:
C12H16ClN3
Molecular Weight:
237.7285
IUPAC Name:
[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C12H15N3.ClH/c1-10-7-14-15(8-10)9-12-4-2-11(6-13)3-5-12;/h2-5,7-8H,6,9,13H2,1H3;1H
InChI Key:
RJTFZBIACIEAPP-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)Cn1ncc(c1)C.Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.731g/mol
Monoisotopic Mass:
237.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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