Home Amines 1015845-81-4
1015845-81-4,MFCD08691495
Catalog No.:AA0004SE
1015845-81-4 | 1H-Pyrazole-4-methanamine, 1-ethyl-N-(2-methoxyethyl)-
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Technical Information
Catalog Number:
AA0004SE
Chemical Name:
1H-Pyrazole-4-methanamine, 1-ethyl-N-(2-methoxyethyl)-
CAS Number:
1015845-81-4
Molecular Formula:
C9H17N3O
Molecular Weight:
183.2508
MDL Number:
MFCD08691495
IUPAC Name:
N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxyethanamine
InChI:
InChI=1S/C9H17N3O/c1-3-12-8-9(7-11-12)6-10-4-5-13-2/h7-8,10H,3-6H2,1-2H3
InChI Key:
LHQXRLQFAAWQHE-UHFFFAOYSA-N
SMILES:
COCCNCc1cnn(c1)CC
Properties
Computed Properties
 
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.137g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.255g/mol
Monoisotopic Mass:
183.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
1015845-81-4 
N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-N-(2-METHOXYETHYL)AMINE 
AKOS002659223 
RTR-050693 
AJ-71132 
TR-050693 
Y-4183 
[(1-ethylpyrazol-4-yl)methyl](2-methoxyethyl)amine 
1H-Pyrazole-4-methanamine, 1-ethyl-N-(2-methoxyethyl)- 
N-[(1-Ethyl-1H-pyrazol-4-yl)methyl]-2-methoxyethan-1-amine 
C9H17N3O 
N-[(1-ETHYL-1H-PYRAZOL-4-YL)METHYL]-2-METHOXYETHANAMINE 
N-((1-Ethyl-1H-pyrazol-4-yl)methyl)-2-methoxyethanamine 
CTK3J9942 
DTXSID40650841 
ZX-CM003530 
7387AC 
MFCD08691495 
ZINC19089159 
Literature
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