200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 102638-45-9

102638-45-9

102638-45-9 | Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester

CAS No: 102638-45-9 Catalog No: AG0007ZR MDL No:MFCD08275208

Product Description

Catalog Number:
AG0007ZR
Chemical Name:
Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
102638-45-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD08275208
IUPAC Name:
tert-butyl 3-(aminomethyl)benzoate
InChI:
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3
InChI Key:
HALKLPHYNWBHPB-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C(=O)OC(C)(C)C

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

© 2019 Angene International Limited. All rights Reserved.