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878167-54-5 | 1-Boc-5-Methylspiro[indoline-3,4'-piperidine] hydrochloride
CAS No: 878167-54-5 Catalog No: AG004K4E MDL No:MFCD15071700
Product Description
Catalog Number:
AG004K4E
Chemical Name:
1-Boc-5-Methylspiro[indoline-3,4'-piperidine] hydrochloride
CAS Number:
878167-54-5
Molecular Formula:
C18H27ClN2O2
Molecular Weight:
338.8722
MDL Number:
MFCD15071700
IUPAC Name:
tert-butyl 5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
InChI:
InChI=1S/C18H26N2O2.ClH/c1-13-5-6-15-14(11-13)18(7-9-19-10-8-18)12-20(15)16(21)22-17(2,3)4;/h5-6,11,19H,7-10,12H2,1-4H3;1H
InChI Key:
ZVIZHEMABFBZMC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)OC(C)(C)C.Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.176g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.876g/mol
Monoisotopic Mass:
338.176g/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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