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Home > Thiazole > 1170975-85-5
1170975-85-5 | 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazine hydrochloride
CAS No: 1170975-85-5 Catalog No: AG019N0F MDL No:MFCD11857766
Product Description
Catalog Number:
AG019N0F
Chemical Name:
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazine hydrochloride
CAS Number:
1170975-85-5
Molecular Formula:
C12H22ClN3S
Molecular Weight:
275.8412
MDL Number:
MFCD11857766
IUPAC Name:
2-tert-butyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C12H21N3S.ClH/c1-12(2,3)11-14-10(9-16-11)8-15-6-4-13-5-7-15;/h9,13H,4-8H2,1-3H3;1H
InChI Key:
JXTXYQDMNMCXPJ-UHFFFAOYSA-N
SMILES:
CC(c1scc(n1)CN1CCNCC1)(C)C.Cl
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.839g/mol
Monoisotopic Mass:
275.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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