| CAS Number | 1272758-31-2 |
| Catalog Number | AG000WVG(AGN-PC-0WCYPJ) |
| Chemical Name | 1,3,8-Triazaspiro[4.5]decan-4-one, 3-phenyl- |
| IUPAC Name | 3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
| InChI | InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)15-10-16(12)11-4-2-1-3-5-11/h1-5,14-15H,6-10H2 |
| InChI Key | RZMAAQXNIHFKQU-UHFFFAOYSA-N |
| MDL Number | MFCD18711604 |
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.2936 |
| SMILES | O=C1C2(NCN1c1ccccc1)CCNCC2 |
| Synonyms | 3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one,
1272758-31-2,
KS-00000LBA,
MFCD18711604,
ZINC66055271,
AKOS027330655,
AS06784,
AK330946,
DS-12424,
AX8267028,
A-1934,
1,3,8-Triazaspiro[4.5]decan-4-one, 3-phenyl-,
1-Phenyl-5-oxospiro[imidazolidine-4,4'-piperidine],
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.299g/mol |
| Monoisotopic Mass | 231.137g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number