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27674-56-2 | 1-Piperidinepropanol, β-(methoxymethyl)-α,α-diphenyl-, hydrochloride (1:1)
CAS No: 27674-56-2 Catalog No: AG002UEJ MDL No:
Product Description
Catalog Number:
AG002UEJ
Chemical Name:
1-Piperidinepropanol, β-(methoxymethyl)-α,α-diphenyl-, hydrochloride (1:1)
CAS Number:
27674-56-2
Molecular Formula:
C22H30ClNO2
Molecular Weight:
375.9321
IUPAC Name:
2-(methoxymethyl)-1,1-diphenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
InChI:
InChI=1S/C22H29NO2.ClH/c1-25-18-21(17-23-15-9-4-10-16-23)22(24,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21,24H,4,9-10,15-18H2,1H3;1H
InChI Key:
NDXLJDLROKSRME-UHFFFAOYSA-N
SMILES:
COCC(C(c1ccccc1)(c1ccccc1)O)CN1CCCCC1.Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.197g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.937g/mol
Monoisotopic Mass:
375.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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