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88214-67-9 | 2H-1-Benzopyran-4-amine, 3,4-dihydro-N,2-diphenyl-, trans-
CAS No: 88214-67-9 Catalog No: AG004DHO MDL No:
Product Description
Catalog Number:
AG004DHO
Chemical Name:
2H-1-Benzopyran-4-amine, 3,4-dihydro-N,2-diphenyl-, trans-
CAS Number:
88214-67-9
Molecular Formula:
C21H19NO
Molecular Weight:
301.3817
IUPAC Name:
(2R,4S)-N,2-diphenyl-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C21H19NO/c1-3-9-16(10-4-1)21-15-19(22-17-11-5-2-6-12-17)18-13-7-8-14-20(18)23-21/h1-14,19,21-22H,15H2/t19-,21+/m0/s1
InChI Key:
ARNKGMBWBXFTFE-PZJWPPBQSA-N
SMILES:
c1ccc(cc1)N[C@H]1C[C@@H](Oc2c1cccc2)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
301.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.389g/mol
Monoisotopic Mass:
301.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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