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1227381-91-0 | 2,7-diazaspiro[3.5]nonane-2-carboxylic acid, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1227381-91-0 Catalog No: AG000J8C MDL No:MFCD17012886
Product Description
Catalog Number:
AG000J8C
Chemical Name:
2,7-diazaspiro[3.5]nonane-2-carboxylic acid, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1227381-91-0
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.7924
MDL Number:
MFCD17012886
IUPAC Name:
benzyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;hydrochloride
InChI:
InChI=1S/C15H20N2O2.ClH/c18-14(19-10-13-4-2-1-3-5-13)17-11-15(12-17)6-8-16-9-7-15;/h1-5,16H,6-12H2;1H
InChI Key:
DITCBNHNFWNNFY-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCNCC2)OCc1ccccc1.Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.795g/mol
Monoisotopic Mass:
296.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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