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Home > Other Heterocycles > 1422068-62-9
1422068-62-9 | 4-allyl-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CAS No: 1422068-62-9 Catalog No: AG01DK9N MDL No:
Product Description
Catalog Number:
AG01DK9N
Chemical Name:
4-allyl-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CAS Number:
1422068-62-9
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
IUPAC Name:
1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
InChI:
InChI=1S/C12H21N3O/c1-3-8-15-10-9-14(2)12(11(15)16)4-6-13-7-5-12/h3,13H,1,4-10H2,2H3
InChI Key:
FLRABWGGYSTWLQ-UHFFFAOYSA-N
SMILES:
C=CCN1CCN(C2(C1=O)CCNCC2)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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