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1626394-43-1

1626394-43-1 | Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, ethyl ester, hydrochloride (1:1), (2S,3S)-

CAS No: 1626394-43-1 Catalog No: AG001T9V MDL No:

Product Description

Catalog Number:
AG001T9V
Chemical Name:
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-amino-, ethyl ester, hydrochloride (1:1), (2S,3S)-
CAS Number:
1626394-43-1
Molecular Formula:
C11H20ClNO2
Molecular Weight:
233.7350
IUPAC Name:
ethyl (2S,3S)-3-aminobicyclo[2.2.2]octane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C11H19NO2.ClH/c1-2-14-11(13)9-7-3-5-8(6-4-7)10(9)12;/h7-10H,2-6,12H2,1H3;1H/t7?,8?,9-,10-;/m0./s1
InChI Key:
CFRFVTFZTABHIF-UANYXRBSSA-N
SMILES:
CCOC(=O)[C@H]1C2CCC([C@@H]1N)CC2.Cl
EC Number:
812-619-0

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
233.118g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.736g/mol
Monoisotopic Mass:
233.118g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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