Home Halogens tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate

tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate

CAS No.:
1671088-98-4
Catalog Number:
AG01EN48
Molecular Formula:
C16H23BrN2O3
Molecular Weight:
371.2694
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Product Description
Catalog Number:
AG01EN48
Chemical Name:
tert-Butyl (4-((3-bromobenzyl)amino)-4-oxobutyl)carbamate
CAS Number:
1671088-98-4
Molecular Formula:
C16H23BrN2O3
Molecular Weight:
371.2694
MDL Number:
MFCD30502869
IUPAC Name:
tert-butyl N-[4-[(3-bromophenyl)methylamino]-4-oxobutyl]carbamate
InChI:
InChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(21)18-9-5-8-14(20)19-11-12-6-4-7-13(17)10-12/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
ZPLOXOJSYDFDFD-UHFFFAOYSA-N
SMILES:
O=C(NCc1cccc(c1)Br)CCCNC(=O)OC(C)(C)C
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.089g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
371.275g/mol
Monoisotopic Mass:
370.089g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties