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27674-54-0 | 1-Pyrrolidinepropanol, β-(methoxymethyl)-α,α-diphenyl-, hydrochloride (1:1)
CAS No: 27674-54-0 Catalog No: AG002UEL MDL No:
Product Description
Catalog Number:
AG002UEL
Chemical Name:
1-Pyrrolidinepropanol, β-(methoxymethyl)-α,α-diphenyl-, hydrochloride (1:1)
CAS Number:
27674-54-0
Molecular Formula:
C21H28ClNO2
Molecular Weight:
361.9055
IUPAC Name:
2-(methoxymethyl)-1,1-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
InChI:
InChI=1S/C21H27NO2.ClH/c1-24-17-20(16-22-14-8-9-15-22)21(23,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,20,23H,8-9,14-17H2,1H3;1H
InChI Key:
NCUBDBKBUJAGJP-UHFFFAOYSA-N
SMILES:
COCC(C(c1ccccc1)(c1ccccc1)O)CN1CCCC1.Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.181g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.91g/mol
Monoisotopic Mass:
361.181g/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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