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1148044-30-7 | 1,6-Diazaspiro[3.4]octane-1-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS No: 1148044-30-7 Catalog No: AG000F8N MDL No:MFCD13184450
Product Description
Catalog Number:
AG000F8N
Chemical Name:
1,6-Diazaspiro[3.4]octane-1-carboxylic acid, 6-(phenylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
1148044-30-7
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD13184450
IUPAC Name:
tert-butyl 7-benzyl-1,7-diazaspiro[3.4]octane-1-carboxylate
InChI:
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-10-18(20)9-11-19(14-18)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChI Key:
BZXZGQDQJSTACC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC21CCN(C2)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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