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Home > Other Heterocycles > 1159822-76-0
1159822-76-0 | 2,5-Diazaspiro[3.4]octane, 5-(phenylmethyl)-, hydrochloride (1:2)
CAS No: 1159822-76-0 Catalog No: AG000HB7 MDL No:MFCD11501174
Product Description
Catalog Number:
AG000HB7
Chemical Name:
2,5-Diazaspiro[3.4]octane, 5-(phenylmethyl)-, hydrochloride (1:2)
CAS Number:
1159822-76-0
Molecular Formula:
C13H20Cl2N2
Molecular Weight:
275.2173
MDL Number:
MFCD11501174
IUPAC Name:
5-benzyl-2,5-diazaspiro[3.4]octane;dihydrochloride
InChI:
InChI=1S/C13H18N2.2ClH/c1-2-5-12(6-3-1)9-15-8-4-7-13(15)10-14-11-13;;/h1-3,5-6,14H,4,7-11H2;2*1H
InChI Key:
RACWBOYLAADTNQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCCC21CNC2.Cl.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.217g/mol
Monoisotopic Mass:
274.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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