Home Other Building Blocks tert-butyl N-[(3-cyanophenyl)methyl]carbamate

tert-butyl N-[(3-cyanophenyl)methyl]carbamate

CAS No.:
916213-93-9
Catalog Number:
AG01BCUT
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
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Product Description
Catalog Number:
AG01BCUT
Chemical Name:
tert-butyl N-[(3-cyanophenyl)methyl]carbamate
CAS Number:
916213-93-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD14635695
IUPAC Name:
tert-butyl N-[(3-cyanophenyl)methyl]carbamate
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-5-10(7-11)8-14/h4-7H,9H2,1-3H3,(H,15,16)
InChI Key:
NPPAYBVYRFLZMY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CNC(=O)OC(C)(C)C
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/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