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156205-79-7 | 1,7,8-Indolizinetriol, octahydro-6-[(1-methylpropyl)amino]-
CAS No: 156205-79-7 Catalog No: AG001OL2 MDL No:
Product Description
Catalog Number:
AG001OL2
Chemical Name:
1,7,8-Indolizinetriol, octahydro-6-[(1-methylpropyl)amino]-
CAS Number:
156205-79-7
Molecular Formula:
C12H24N2O3
Molecular Weight:
244.3306
IUPAC Name:
6-(butan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
InChI:
InChI=1S/C12H24N2O3/c1-3-7(2)13-8-6-14-5-4-9(15)10(14)12(17)11(8)16/h7-13,15-17H,3-6H2,1-2H3
InChI Key:
RUZODLPHOGMTHB-UHFFFAOYSA-N
SMILES:
CCC(NC1CN2CCC(C2C(C1O)O)O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
244.335g/mol
Monoisotopic Mass:
244.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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