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1094661-15-0 | 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazine
CAS No: 1094661-15-0 Catalog No: AG019MZ3 MDL No:MFCD12068349
Product Description
Catalog Number:
AG019MZ3
Chemical Name:
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazine
CAS Number:
1094661-15-0
Molecular Formula:
C12H21N3S
Molecular Weight:
239.3802
MDL Number:
MFCD12068349
IUPAC Name:
2-tert-butyl-4-(piperazin-1-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C12H21N3S/c1-12(2,3)11-14-10(9-16-11)8-15-6-4-13-5-7-15/h9,13H,4-8H2,1-3H3
InChI Key:
VITXSIHDSMSNNO-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)CN1CCNCC1)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.381g/mol
Monoisotopic Mass:
239.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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