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1141934-97-5 | Benzenemethanol, α-(2-aminoethyl)-3-(cyclohexylmethoxy)-, hydrochloride (1:1), (αR)-
CAS No: 1141934-97-5 Catalog No: AG000ARJ MDL No:
Product Description
Catalog Number:
AG000ARJ
Chemical Name:
Benzenemethanol, α-(2-aminoethyl)-3-(cyclohexylmethoxy)-, hydrochloride (1:1), (αR)-
CAS Number:
1141934-97-5
Molecular Formula:
C16H26ClNO2
Molecular Weight:
299.8361
IUPAC Name:
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
InChI:
InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1
InChI Key:
BPZWRYOUJMDQSY-PKLMIRHRSA-N
SMILES:
NCC[C@H](c1cccc(c1)OCC1CCCCC1)O.Cl
UNII:
AP4OF2M98B
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.165g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.839g/mol
Monoisotopic Mass:
299.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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