Home Other Building Blocks (3-methyl-1-phenyl-1H-pyrazol-4-yl)methanamine

(3-methyl-1-phenyl-1H-pyrazol-4-yl)methanamine

CAS No.:
1020718-05-1
Catalog Number:
AG01A5G5
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
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Product Description
Catalog Number:
AG01A5G5
Chemical Name:
(3-methyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CAS Number:
1020718-05-1
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD06660880
IUPAC Name:
(3-methyl-1-phenylpyrazol-4-yl)methanamine
InChI:
InChI=1S/C11H13N3/c1-9-10(7-12)8-14(13-9)11-5-3-2-4-6-11/h2-6,8H,7,12H2,1H3
InChI Key:
HEJRZYXYMWIXCR-UHFFFAOYSA-N
SMILES:
NCc1cn(nc1C)c1ccccc1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties