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141682-00-0 | 8-Isobutoxy-2,3,3a,4,5,6-hexahydro-1H-pyrazino-[3,2
CAS No: 141682-00-0 Catalog No: AG01FOGR MDL No:
Product Description
Catalog Number:
AG01FOGR
Chemical Name:
8-Isobutoxy-2,3,3a,4,5,6-hexahydro-1H-pyrazino-[3,2
CAS Number:
141682-00-0
IUPAC Name:
12-(2-methylpropoxy)-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;hydrochloride
InChI:
InChI=1S/C18H24N2O.ClH/c1-12(2)11-21-13-6-7-17-15(10-13)14-4-3-5-16-18(14)20(17)9-8-19-16;/h6-7,10,12,16,19H,3-5,8-9,11H2,1-2H3;1H
InChI Key:
XKPQJAXLKMXJDZ-UHFFFAOYSA-N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.166g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.861g/mol
Monoisotopic Mass:
320.166g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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