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213135-54-7 | (3S,4AS,8AS)-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
CAS No: 213135-54-7 Catalog No: AG00C2LO MDL No:
Product Description
Catalog Number:
AG00C2LO
Chemical Name:
(3S,4AS,8AS)-DECAHYDRO-N-(2-HYDROXY-1,1-DIMETHYLETHYL)-3-ISOQUINOLINECARBOXAMIDE
CAS Number:
213135-54-7
IUPAC Name:
(3S,4aS,8aS)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C14H26N2O2/c1-14(2,9-17)16-13(18)12-7-10-5-3-4-6-11(10)8-15-12/h10-12,15,17H,3-9H2,1-2H3,(H,16,18)/t10-,11+,12-/m0/s1
InChI Key:
DNCQVDWVNKMOOB-TUAOUCFPSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
254.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.374g/mol
Monoisotopic Mass:
254.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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