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1414958-13-6 | 2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1414958-13-6 Catalog No: AG001GHA MDL No:MFCD22689232
Product Description
Catalog Number:
AG001GHA
Chemical Name:
2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1414958-13-6
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
MDL Number:
MFCD22689232
IUPAC Name:
tert-butyl 6-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)4-8(12)5-11;/h8H,4-7,12H2,1-3H3;1H
InChI Key:
CSFXHBHICSYCIJ-UHFFFAOYSA-N
SMILES:
NC1CC2(C1)CN(C2)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
269
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:
0
Undefined Bond Stereocenter Count:
0
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