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207405-66-1

207405-66-1 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (1R,4R,5R)-rel-

CAS No: 207405-66-1 Catalog No: AG002J1O MDL No:MFCD20527367

Product Description

Catalog Number:
AG002J1O
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (1R,4R,5R)-rel-
CAS Number:
207405-66-1
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
MDL Number:
MFCD20527367
IUPAC Name:
tert-butyl 5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-6-7-4-8(13)5-9(7)12;/h7-9H,4-6,12H2,1-3H3;1H
InChI Key:
LVXNMQVPLRAALF-UHFFFAOYSA-N
SMILES:
N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C.Cl

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.129g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
248.751g/mol
Monoisotopic Mass:
248.129g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0

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