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Home Nitriles 2-Amino-5-methylbenzonitrile

2-Amino-5-methylbenzonitrile

CAS No.:
5925-93-9
Catalog Number:
AG00EBAZ
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$37
- +
5g
98%
In Stock USA
United States
$113
- +
10g
98%
In Stock USA
United States
$182
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00EBAZ
Chemical Name:
2-Amino-5-methylbenzonitrile
CAS Number:
5925-93-9
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD00267506
IUPAC Name:
2-amino-5-methylbenzonitrile
InChI:
InChI=1S/C8H8N2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,10H2,1H3
InChI Key:
OZLMBXPYRDASTP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1N
NSC Number:
51672
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
2,2,7-Trimethyl-2,3-dihydro-quinazolin-4(1H)-one. Acta crystallographica. Section E, Structure reports online 20090601
6'-Methyl-1',2',3',4'-tetra-hydro-spiro-cyclo-hexane-2'-quinazolin-4'-one. Acta crystallographica. Section E, Structure reports online 20090501
Properties