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114826-86-7 | Cyclopentanamine, 3-(phenylmethoxy)-4-[(phenylmethoxy)methyl]-, (1R,3S,4R)-
CAS No: 114826-86-7 Catalog No: AG000FAZ MDL No:
Product Description
Catalog Number:
AG000FAZ
Chemical Name:
Cyclopentanamine, 3-(phenylmethoxy)-4-[(phenylmethoxy)methyl]-, (1R,3S,4R)-
CAS Number:
114826-86-7
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
(1R,3S,4R)-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclopentan-1-amine
InChI:
InChI=1S/C20H25NO2/c21-19-11-18(15-22-13-16-7-3-1-4-8-16)20(12-19)23-14-17-9-5-2-6-10-17/h1-10,18-20H,11-15,21H2/t18-,19-,20+/m1/s1
InChI Key:
WAFJORBWMSLHEF-AQNXPRMDSA-N
SMILES:
N[C@@H]1C[C@@H]([C@H](C1)OCc1ccccc1)COCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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