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1245648-49-0 | 4-Piperidinone, 2-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS No: 1245648-49-0 Catalog No: AG000MCH MDL No:
Product Description
Catalog Number:
AG000MCH
Chemical Name:
4-Piperidinone, 2-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS Number:
1245648-49-0
Molecular Formula:
C9H18ClNO
Molecular Weight:
191.6983
IUPAC Name:
2-tert-butylpiperidin-4-one;hydrochloride
InChI:
InChI=1S/C9H17NO.ClH/c1-9(2,3)8-6-7(11)4-5-10-8;/h8,10H,4-6H2,1-3H3;1H
InChI Key:
PYXKQQYTFGKUSC-UHFFFAOYSA-N
SMILES:
CC(C1NCCC(=O)C1)(C)C.Cl
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.699g/mol
Monoisotopic Mass:
191.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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