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1183309-99-0,MFCD12763842
Catalog No.:AA01AH25
1183309-99-0 | 4-[(4-methyl-1H-pyrazol-1-yl)methyl]aniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$238.00
- +
250mg
95.0%
3 weeks  
$328.00
- +
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Technical Information
Catalog Number:
AA01AH25
Chemical Name:
4-[(4-methyl-1H-pyrazol-1-yl)methyl]aniline
CAS Number:
1183309-99-0
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD12763842
IUPAC Name:
4-[(4-methylpyrazol-1-yl)methyl]aniline
InChI:
InChI=1S/C11H13N3/c1-9-6-13-14(7-9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
InChI Key:
QWPPDCVKEZUYQW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1ncc(c1)C
Properties
Computed Properties
 
Complexity:
175  
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:
1.5  

Synonyms
 
4-[(4-methyl-1H-pyrazol-1-yl)methyl]aniline 
1183309-99-0 
SCHEMBL13102481 
ZINC37676805 
AKOS008141042 
MCULE-7834345193 
NE55716 
EN300-73709 
Literature
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