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236406-46-5 | 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 236406-46-5 Catalog No: AG002O0K MDL No:MFCD14706164
Product Description
Catalog Number:
AG002O0K
Chemical Name:
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
236406-46-5
Molecular Formula:
C20H30N2O2
Molecular Weight:
330.4644
MDL Number:
MFCD14706164
IUPAC Name:
tert-butyl 2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
InChI:
InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)22-12-7-10-20(16-22)11-13-21(15-20)14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3
InChI Key:
ZHDQSHASPMOJOI-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCN(C2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.231g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.472g/mol
Monoisotopic Mass:
330.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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