Home Amines 1015845-80-3
1015845-80-3,MFCD08691488
Catalog No.:AA0004SF
1015845-80-3 | 2-Methyl-n-[(1-methyl-1h-pyrazol-4-yl)methyl]propan-1-amine
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Technical Information
Catalog Number:
AA0004SF
Chemical Name:
2-Methyl-n-[(1-methyl-1h-pyrazol-4-yl)methyl]propan-1-amine
CAS Number:
1015845-80-3
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
MDL Number:
MFCD08691488
IUPAC Name:
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
InChI:
InChI=1S/C9H17N3/c1-8(2)4-10-5-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChI Key:
SJSPCTOAIURCFH-UHFFFAOYSA-N
SMILES:
CC(CNCc1cnn(c1)C)C
Properties
Computed Properties
 
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
1015845-80-3 
2-METHYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]PROPAN-1-AMINE 
ZINC11920308 
AKOS000263003 
VS-0344 
AJ-60531 
Y-4177 
(2-methylpropyl)[(1-methylpyrazol-4-yl)methyl]amine 
N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine 
1H-Pyrazole-4-methanamine, 1-methyl-N-(2-methylpropyl)- 
2-Methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-propanamine 
C9H17N3 
N-ISOBUTYL-N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]-AMINE 
[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine 
2-Methyl-N-((1-methyl-1H-pyrazol-4-yl)methyl)propan-1-amine 
CTK3J9941 
DTXSID00654704 
ALBB-004739 
7386AC 
MFCD08691488 
Literature
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