Home Other Building Blocks (3-Aminomethyl-phenyl)-acetic acid tert-butyl ester oxalate

(3-Aminomethyl-phenyl)-acetic acid tert-butyl ester oxalate

CAS No.:
932740-71-1
Catalog Number:
AG00H2ZD
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
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Product Description
Catalog Number:
AG00H2ZD
Chemical Name:
(3-Aminomethyl-phenyl)-acetic acid tert-butyl ester oxalate
CAS Number:
932740-71-1
Molecular Formula:
C15H21NO6
Molecular Weight:
311.3303
MDL Number:
MFCD09952347
IUPAC Name:
tert-butyl 2-[3-(aminomethyl)phenyl]acetate;oxalic acid
InChI:
InChI=1S/C13H19NO2.C2H2O4/c1-13(2,3)16-12(15)8-10-5-4-6-11(7-10)9-14;3-1(4)2(5)6/h4-7H,8-9,14H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
JBLRVYSXYBEIIH-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCc1cccc(c1)CC(=O)OC(C)(C)C
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.137g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.334g/mol
Monoisotopic Mass:
311.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties