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2007925-05-3 | 3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 2007925-05-3 Catalog No: AG002CZX MDL No:
Product Description
Catalog Number:
AG002CZX
Chemical Name:
3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
2007925-05-3
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
IUPAC Name:
tert-butyl 3,8-diazabicyclo[4.2.0]octane-3-carboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-5-4-8-6-12-9(8)7-13;/h8-9,12H,4-7H2,1-3H3;1H
InChI Key:
XYYKKDJSAKRWRS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(C1)NC2)OC(C)(C)C.Cl
Properties
Complexity:
260
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:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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