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1159982-59-8 | 2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1159982-59-8 Catalog No: AG000HF8 MDL No:
Product Description
Catalog Number:
AG000HF8
Chemical Name:
2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1159982-59-8
Molecular Formula:
C21H32N2O2
Molecular Weight:
344.4910
IUPAC Name:
tert-butyl 9-benzyl-2,9-diazaspiro[5.5]undecane-2-carboxylate
InChI:
InChI=1S/C21H32N2O2/c1-20(2,3)25-19(24)23-13-7-10-21(17-23)11-14-22(15-12-21)16-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3
InChI Key:
PGZROCDJHYQOFI-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.499g/mol
Monoisotopic Mass:
344.246g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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