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1221974-62-4 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-(aminomethyl)-, hydrochloride (1:2), (3S)-
CAS No: 1221974-62-4 Catalog No: AG0016X2 MDL No:
Product Description
Catalog Number:
AG0016X2
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-(aminomethyl)-, hydrochloride (1:2), (3S)-
CAS Number:
1221974-62-4
Molecular Formula:
C8H18Cl2N2O
Molecular Weight:
229.1473
IUPAC Name:
(3S)-3-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-ol;dihydrochloride
InChI:
InChI=1S/C8H16N2O.2ClH/c9-5-8(11)6-10-3-1-7(8)2-4-10;;/h7,11H,1-6,9H2;2*1H/t8-;;/m0../s1
InChI Key:
OUKVGTYIZUXBIR-JZGIKJSDSA-N
SMILES:
NC[C@]1(O)CN2CCC1CC2.Cl.Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
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:
4
Isotope Atom Count:
0
Molecular Weight:
229.145g/mol
Monoisotopic Mass:
228.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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