Home Aminos Benzoic acid, 2-[(cyanomethyl)amino]-, methyl ester (9CI)

Benzoic acid, 2-[(cyanomethyl)amino]-, methyl ester (9CI)

CAS No.:
28354-20-3
Catalog Number:
AG00BLKG
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00BLKG
Chemical Name:
Benzoic acid, 2-[(cyanomethyl)amino]-, methyl ester (9CI)
CAS Number:
28354-20-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD20661306
IUPAC Name:
methyl 2-(cyanomethylamino)benzoate
InChI:
InChI=1S/C10H10N2O2/c1-14-10(13)8-4-2-3-5-9(8)12-7-6-11/h2-5,12H,7H2,1H3
InChI Key:
CNYPOHOEZKXXEI-UHFFFAOYSA-N
SMILES:
N#CCNc1ccccc1C(=O)OC
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties