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1243481-60-8 | Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 4-amino-3,4-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1243481-60-8 Catalog No: AG000LW7 MDL No:MFCD15071708
Product Description
Catalog Number:
AG000LW7
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 4-amino-3,4-dihydro-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1243481-60-8
Molecular Formula:
C18H27ClN2O3
Molecular Weight:
354.8716
MDL Number:
MFCD15071708
IUPAC Name:
tert-butyl 4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate;hydrochloride
InChI:
InChI=1S/C18H26N2O3.ClH/c1-17(2,3)23-16(21)20-10-8-18(9-11-20)12-14(19)13-6-4-5-7-15(13)22-18;/h4-7,14H,8-12,19H2,1-3H3;1H
InChI Key:
IYEWEOVWGXSXQF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(N)c1c(O2)cccc1)OC(C)(C)C.Cl
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.171g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.875g/mol
Monoisotopic Mass:
354.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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