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Home > Other Heterocycles > 1269054-82-1
1269054-82-1 | 2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride
CAS No: 1269054-82-1 Catalog No: AG00J2B3 MDL No:MFCD18483553
Product Description
Catalog Number:
AG00J2B3
Chemical Name:
2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride
CAS Number:
1269054-82-1
Molecular Formula:
C8H15Cl2N3O
Molecular Weight:
240.1302
MDL Number:
MFCD18483553
IUPAC Name:
2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
InChI:
InChI=1S/C8H13N3O.2ClH/c1-6-10-7(12)8(11-6)2-4-9-5-3-8;;/h9H,2-5H2,1H3,(H,10,11,12);2*1H
InChI Key:
HWIOFUXFIIGUJH-UHFFFAOYSA-N
SMILES:
O=C1NC(=NC21CCNCC2)C.Cl.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
240.128g/mol
Monoisotopic Mass:
239.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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