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1353958-60-7 | 2-Chloro-1-(3-dimethylamino-piperidin-1-yl)-ethanone
CAS No: 1353958-60-7 Catalog No: AG01F8HT MDL No:
Product Description
Catalog Number:
AG01F8HT
Chemical Name:
2-Chloro-1-(3-dimethylamino-piperidin-1-yl)-ethanone
CAS Number:
1353958-60-7
Molecular Formula:
C9H17ClN2O
Molecular Weight:
204.6971
IUPAC Name:
2-chloro-1-[3-(dimethylamino)piperidin-1-yl]ethanone
InChI:
InChI=1S/C9H17ClN2O/c1-11(2)8-4-3-5-12(7-8)9(13)6-10/h8H,3-7H2,1-2H3
InChI Key:
WZKZLYBLAIHOFS-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCCC(C1)N(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.698g/mol
Monoisotopic Mass:
204.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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