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Home > Other Heterocycles > 1217065-38-7
1217065-38-7 | 4'-tert-butyl-6-methoxy-2,3,4,9-tetrahydrospiro[beta-carboline-1,1'-cyclohexane] hydrochloride
CAS No: 1217065-38-7 Catalog No: AG00JITM MDL No:
Product Description
Catalog Number:
AG00JITM
Chemical Name:
4'-tert-butyl-6-methoxy-2,3,4,9-tetrahydrospiro[beta-carboline-1,1'-cyclohexane] hydrochloride
CAS Number:
1217065-38-7
Molecular Formula:
C21H30N2O
Molecular Weight:
326.4757
IUPAC Name:
4'-tert-butyl-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane];hydrochloride
InChI:
InChI=1S/C21H30N2O.ClH/c1-20(2,3)14-7-10-21(11-8-14)19-16(9-12-22-21)17-13-15(24-4)5-6-18(17)23-19;/h5-6,13-14,22-23H,7-12H2,1-4H3;1H
InChI Key:
GAXDOMBTQXPEBN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c1CCNC3(c1[nH]2)CCC(CC3)C(C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.212g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.942g/mol
Monoisotopic Mass:
362.212g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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