Home Aldehydes 4-[(2-Cyanoethyl)methylamino]benzaldehyde

4-[(2-Cyanoethyl)methylamino]benzaldehyde

CAS No.:
94-21-3
Catalog Number:
AG003KKG
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$75
- +
25g
98%(GC)
In Stock USA
United States
$257
- +
100g
98%(GC)
In Stock USA
United States
$898
- +
Product Description
Catalog Number:
AG003KKG
Chemical Name:
4-[(2-Cyanoethyl)methylamino]benzaldehyde
CAS Number:
94-21-3
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD00021067
IUPAC Name:
3-(4-formyl-N-methylanilino)propanenitrile
InChI:
InChI=1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3
InChI Key:
DNRTTXXWWAKULZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N(CCC#N)C
EC Number:
202-315-0
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Structural characterization of pyrrolic cross-links in collagen using a biotinylated Ehrlich's reagent. The Journal of biological chemistry 20010601
Properties