Home Carboxys 2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, ethyl ester (hydrochloride)(1

2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, ethyl ester (hydrochloride)(1

CAS No.:
188057-41-2
Catalog Number:
AG00ABH8
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
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Product Description
Catalog Number:
AG00ABH8
Chemical Name:
2-Azabicyclo[2.2.1]heptane-3-carboxylic acid, ethyl ester (hydrochloride)(1
CAS Number:
188057-41-2
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD08460283
IUPAC Name:
ethyl (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C9H15NO2.ClH/c1-2-12-9(11)8-6-3-4-7(5-6)10-8;/h6-8,10H,2-5H2,1H3;1H/t6-,7+,8-;/m0./s1
InChI Key:
JGZNXJVOMLUIKC-CZEXFEQNSA-N
SMILES:
CCOC(=O)[C@H]1N[C@H]2C[C@@H]1CC2.Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties