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1788054-91-0 | 2-Azaspiro[3.3]heptane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1788054-91-0 Catalog No: AG0026DQ MDL No:MFCD28502500
Product Description
Catalog Number:
AG0026DQ
Chemical Name:
2-Azaspiro[3.3]heptane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1788054-91-0
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
MDL Number:
MFCD28502500
IUPAC Name:
tert-butyl 7-amino-2-azaspiro[3.3]heptane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-6-11(7-13)5-4-8(11)12;/h8H,4-7,12H2,1-3H3;1H
InChI Key:
NVIZDJWHYRSKJM-UHFFFAOYSA-N
SMILES:
NC1CCC21CN(C2)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
277
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:
1
Undefined Bond Stereocenter Count:
0
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