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156205-81-1 | 1,7,8-Indolizinetriol, octahydro-6-[(1-methylbutyl)amino]-
CAS No: 156205-81-1 Catalog No: AG001OL0 MDL No:
Product Description
Catalog Number:
AG001OL0
Chemical Name:
1,7,8-Indolizinetriol, octahydro-6-[(1-methylbutyl)amino]-
CAS Number:
156205-81-1
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
IUPAC Name:
6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,7,8-triol
InChI:
InChI=1S/C13H26N2O3/c1-3-4-8(2)14-9-7-15-6-5-10(16)11(15)13(18)12(9)17/h8-14,16-18H,3-7H2,1-2H3
InChI Key:
RQSDNHZKVDCJBG-UHFFFAOYSA-N
SMILES:
CC(NC1CN2CCC(C2C(C1O)O)O)CCC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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