Home Nitriles 3-Anilinopropionitrile

3-Anilinopropionitrile

CAS No.:
1075-76-9
Catalog Number:
AG00380E
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
98%
In Stock USA
United States
$108
- +
25g
98%
In Stock USA
United States
$126
- +
100g
98%
In Stock USA
United States
$239
- +
Product Description
Catalog Number:
AG00380E
Chemical Name:
3-Anilinopropionitrile
CAS Number:
1075-76-9
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
MDL Number:
MFCD00001953
IUPAC Name:
3-anilinopropanenitrile
InChI:
InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2
InChI Key:
FENJKTQEFUPECW-UHFFFAOYSA-N
SMILES:
N#CCCNc1ccccc1
EC Number:
214-057-6
UNII:
S4YM38H4U6
NSC Number:
80663
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties