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Home Nitriles 3-Aminobenzonitrile

3-Aminobenzonitrile

CAS No.:
2237-30-1
Catalog Number:
AG006Y66
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$113
- +
500g
99%(GC)
In Stock USA
United States
$428
- +
Product Description
Catalog Number:
AG006Y66
Chemical Name:
3-Aminobenzonitrile
CAS Number:
2237-30-1
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
MDL Number:
MFCD00007756
IUPAC Name:
3-aminobenzonitrile
InChI:
InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
InChI Key:
NJXPYZHXZZCTNI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N
EC Number:
218-800-5
UNII:
15V3CW939X
NSC Number:
7626
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
3-Cyano-anilinium hydrogen oxalate hemihydrate. Acta crystallographica. Section E, Structure reports online 20120601
3-Amino-benzonitrile-3,5-dinitro-benzoic acid (1/1). Acta crystallographica. Section E, Structure reports online 20111101
3-Cyano-anilinium iodide monohydrate. Acta crystallographica. Section E, Structure reports online 20101201
3-[2-(4,4-Dimethyl-2,6-dioxocyclo-hexyl-idene)hydrazin-yl]benzonitrile. Acta crystallographica. Section E, Structure reports online 20100501
(E)-3-[(4-Diethyl-amino-2-hydroxy-benzyl-idene)amino]benzonitrile. Acta crystallographica. Section E, Structure reports online 20091201
3-Cyano-anilinium nitrate. Acta crystallographica. Section E, Structure reports online 20091001
3-Cyano-anilinium bromide. Acta crystallographica. Section E, Structure reports online 20091001
(Z)-1-[(3-Cyano-phen-yl)iminiometh-yl]-2-naphtholate. Acta crystallographica. Section E, Structure reports online 20090701
(E)-3-(2-Hydr-oxy-4-methoxy-benzyl-idene-amino)benzonitrile. Acta crystallographica. Section E, Structure reports online 20090701
3-[(3,5-Di-tert-butyl-2-hydroxy-benzyl-idene)methyl-eneamino]benzonitrile. Acta crystallographica. Section E, Structure reports online 20090501
3-[4-(Dimethyl-amino)benzyl-ideneamino]benzonitrile. Acta crystallographica. Section E, Structure reports online 20090501
3-Cyano-anilinium chloride. Acta crystallographica. Section E, Structure reports online 20080801
1-(3-Cyano-phen-yl)-3-(2-furo-yl)thio-urea. Acta crystallographica. Section E, Structure reports online 20080701
2-(2-Hydroxy-benzyl-ideneamino)benzonitrile. Acta crystallographica. Section E, Structure reports online 20080601
3-(2-Hydroxy-benzyl-ideneamino)benzonitrile. Acta crystallographica. Section E, Structure reports online 20080301
Synthesis and incorporation of fluorescent C-nucleoside analogue into oligodeoxyribonucleotides. Nucleic acids symposium series (2004) 20080101
Synthesis of novel fluorescent nucleoside bearing 3-aminobenzonitrile as a nucleobase. Nucleic acids symposium series (2004) 20070101
Extreme fluorescence sensitivity of some aniline derivatives to aqueous and nonaqueous environments: mechanistic study and its implication as a fluorescent probe. The journal of physical chemistry. A 20060413
Properties