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1243474-66-9 | Spiro[3H-indole-3,4'-piperidine]-1(2H)-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1243474-66-9 Catalog No: AG000LWB MDL No:MFCD15071705
Product Description
Catalog Number:
AG000LWB
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1(2H)-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1243474-66-9
Molecular Formula:
C17H25ClN2O2
Molecular Weight:
324.8456
MDL Number:
MFCD15071705
IUPAC Name:
tert-butyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
InChI:
InChI=1S/C17H24N2O2.ClH/c1-16(2,3)21-15(20)19-12-17(8-10-18-11-9-17)13-6-4-5-7-14(13)19;/h4-7,18H,8-12H2,1-3H3;1H
InChI Key:
UEJKMPOEGKDSEK-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(c3c1cccc3)CCNCC2)OC(C)(C)C.Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.849g/mol
Monoisotopic Mass:
324.16g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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