4-Benzothiazolecarboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester


Chemical Name: 4-Benzothiazolecarboxylic acid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester
CAS Number: 76263-11-1
Product Number: AG00G2Y4(AGN-PC-05YJMA)
Synonyms:
MDL No:
Molecular Formula: C10H14N2O2S
Molecular Weight: 226.2954

Identification/Properties


Computed Properties
Molecular Weight:
226.294g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
226.078g/mol
Monoisotopic Mass:
226.078g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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