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Home > Other Heterocycles > 1801767-45-2
1801767-45-2 | Carbamic acid, N-2-azaspiro[3.3]hept-5-yl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1801767-45-2 Catalog No: AG0021QZ MDL No:
Product Description
Catalog Number:
AG0021QZ
Chemical Name:
Carbamic acid, N-2-azaspiro[3.3]hept-5-yl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1801767-45-2
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
IUPAC Name:
tert-butyl N-(2-azaspiro[3.3]heptan-7-yl)carbamate;hydrochloride
InChI:
InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-4-5-11(8)6-12-7-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H
InChI Key:
QTXMFFUWXQNVDP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC21CNC2.Cl
Properties
Complexity:
266
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:
3
Isotope Atom Count:
0
Molecular Weight:
248.751g/mol
Monoisotopic Mass:
248.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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