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1630906-99-8 | Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, methyl ester, hydrochloride (1:1), (2R,3R)-rel-
CAS No: 1630906-99-8 Catalog No: AG001TQN MDL No:MFCD28166288
Product Description
Catalog Number:
AG001TQN
Chemical Name:
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, methyl ester, hydrochloride (1:1), (2R,3R)-rel-
CAS Number:
1630906-99-8
Molecular Formula:
C10H18ClNO2
Molecular Weight:
219.7084
MDL Number:
MFCD28166288
IUPAC Name:
methyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C10H17NO2.ClH/c1-13-10(12)8-6-2-4-7(5-3-6)9(8)11;/h6-9H,2-5,11H2,1H3;1H/t6?,7?,8-,9-;/m0./s1
InChI Key:
WMXDQFWQOGJYEQ-DPRHYWCPSA-N
SMILES:
COC(=O)[C@H]1C2CCC([C@@H]1N)CC2.Cl
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.709g/mol
Monoisotopic Mass:
219.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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