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Home > Thiazole > 1352999-17-7
1352999-17-7 | N-(6-Butyl-1,3-benzothiazol-2-yl)-N-methylglycine
CAS No: 1352999-17-7 Catalog No: AG01APN7 MDL No:MFCD21091852
Product Description
Catalog Number:
AG01APN7
Chemical Name:
N-(6-Butyl-1,3-benzothiazol-2-yl)-N-methylglycine
CAS Number:
1352999-17-7
Molecular Formula:
C14H18N2O2S
Molecular Weight:
278.3699
MDL Number:
MFCD21091852
IUPAC Name:
2-[(6-butyl-1,3-benzothiazol-2-yl)-methylamino]acetic acid
InChI:
InChI=1S/C14H18N2O2S/c1-3-4-5-10-6-7-11-12(8-10)19-14(15-11)16(2)9-13(17)18/h6-8H,3-5,9H2,1-2H3,(H,17,18)
InChI Key:
OMQXMPXBYJTBHT-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)sc(n2)N(CC(=O)O)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.37g/mol
Monoisotopic Mass:
278.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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