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1261234-88-1 | 4-[(6-Chloro-pyridin-3-ylmethyl)-amino]-cyclohexanol
CAS No: 1261234-88-1 Catalog No: AG01F8FZ MDL No:
Product Description
Catalog Number:
AG01F8FZ
Chemical Name:
4-[(6-Chloro-pyridin-3-ylmethyl)-amino]-cyclohexanol
CAS Number:
1261234-88-1
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
IUPAC Name:
4-[(6-chloropyridin-3-yl)methylamino]cyclohexan-1-ol
InChI:
InChI=1S/C12H17ClN2O/c13-12-6-1-9(8-15-12)7-14-10-2-4-11(16)5-3-10/h1,6,8,10-11,14,16H,2-5,7H2
InChI Key:
ZZOVELABKXLUOC-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)NCc1ccc(nc1)Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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