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1014712-76-5 | 3-Oxa-9-azabicyclo[3.3.1]nonan-7-amine, 9-methyl-, hydrochloride (1:2), (7-endo)-
CAS No: 1014712-76-5 Catalog No: AG0004JY MDL No:
Product Description
Catalog Number:
AG0004JY
Chemical Name:
3-Oxa-9-azabicyclo[3.3.1]nonan-7-amine, 9-methyl-, hydrochloride (1:2), (7-endo)-
CAS Number:
1014712-76-5
Molecular Formula:
C8H18Cl2N2O
Molecular Weight:
229.1473
IUPAC Name:
(1R,5S)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine;dihydrochloride
InChI:
InChI=1S/C8H16N2O.2ClH/c1-10-7-2-6(9)3-8(10)5-11-4-7;;/h6-8H,2-5,9H2,1H3;2*1H/t6?,7-,8+;;
InChI Key:
BBOULHJMNLHWEO-KTNFEBOISA-N
SMILES:
N[C@@H]1C[C@@H]2COC[C@H](C1)N2C.Cl.Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
228.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.145g/mol
Monoisotopic Mass:
228.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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