200,000+ products from a single source!
sales@angenechem.com
887590-90-1 | 1-Pyrrolidinecarboxylicacid, 3-[[[2-(3-bromophenyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887590-90-1 Catalog No: AG004BC5 MDL No:
Product Description
Catalog Number:
AG004BC5
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[[2-(3-bromophenyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887590-90-1
Molecular Formula:
C18H27BrN2O2
Molecular Weight:
383.3232
IUPAC Name:
tert-butyl 3-[[2-(3-bromophenyl)ethylamino]methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)21-10-8-15(13-21)12-20-9-7-14-5-4-6-16(19)11-14/h4-6,11,15,20H,7-10,12-13H2,1-3H3
InChI Key:
LFLCLGISMPCQMA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCNCC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.33g/mol
Monoisotopic Mass:
382.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.