Home Carboxys ethyl 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylate hydrobromide

ethyl 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylate hydrobromide

CAS No.:
1798732-59-8
Catalog Number:
AG01BDCB
Molecular Formula:
C13H15BrN2O2S
Molecular Weight:
343.2394
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Product Description
Catalog Number:
AG01BDCB
Chemical Name:
ethyl 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylate hydrobromide
CAS Number:
1798732-59-8
Molecular Formula:
C13H15BrN2O2S
Molecular Weight:
343.2394
MDL Number:
MFCD28023596
IUPAC Name:
ethyl 2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylate;hydrobromide
InChI:
InChI=1S/C13H14N2O2S.BrH/c1-2-17-13(16)11-8-18-12(15-11)10-5-3-4-9(6-10)7-14;/h3-6,8H,2,7,14H2,1H3;1H
InChI Key:
BMRIMFCCSIWXNQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1cccc(c1)CN.Br
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.004g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.239g/mol
Monoisotopic Mass:
342.004g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties