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759402-65-8 | trans-2-(4-Methoxy-benzylamino)-cyclohexanol
CAS No: 759402-65-8 Catalog No: AG005H2L MDL No:
Product Description
Catalog Number:
AG005H2L
Chemical Name:
trans-2-(4-Methoxy-benzylamino)-cyclohexanol
CAS Number:
759402-65-8
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
(1R,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
InChI:
InChI=1S/C14H21NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3/t13-,14-/m1/s1
InChI Key:
ILJUCVXCEPFGIK-ZIAGYGMSSA-N
SMILES:
COc1ccc(cc1)CN[C@@H]1CCCC[C@H]1O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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