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Home > Other Heterocycles > 207455-21-8
207455-21-8 | N-1'-Benzyl-3,4-dihydrospiro[1H-indene-1,4'-piperidine]maleate
CAS No: 207455-21-8 Catalog No: AG01ENS8 MDL No:
Product Description
Catalog Number:
AG01ENS8
Chemical Name:
N-1'-Benzyl-3,4-dihydrospiro[1H-indene-1,4'-piperidine]maleate
CAS Number:
207455-21-8
Molecular Formula:
C24H27NO4
Molecular Weight:
393.4755
IUPAC Name:
1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];(Z)-but-2-enedioic acid
InChI:
InChI=1S/C20H23N.C4H4O4/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;5-3(6)1-2-4(7)8/h1-9H,10-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
WAZQVIBRRAMDNX-BTJKTKAUSA-N
SMILES:
c1ccc(cc1)CN1CCC2(CC1)CCc1c2cccc1.OC(=O)/C=C\C(=O)O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
393.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.483g/mol
Monoisotopic Mass:
393.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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