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Home Nitriles 3-((3,5-Dimethylphenyl)amino)propanenitrile

3-((3,5-Dimethylphenyl)amino)propanenitrile

CAS No.:
36034-62-5
Catalog Number:
AG007CMZ
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
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Product Description
Catalog Number:
AG007CMZ
Chemical Name:
3-((3,5-Dimethylphenyl)amino)propanenitrile
CAS Number:
36034-62-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD00087271
IUPAC Name:
3-(3,5-dimethylanilino)propanenitrile
InChI:
InChI=1S/C11H14N2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12/h6-8,13H,3,5H2,1-2H3
InChI Key:
OQRDRTJKHFRBQU-UHFFFAOYSA-N
SMILES:
N#CCCNc1cc(C)cc(c1)C
NSC Number:
158538
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties