| CAS Number | 1240529-14-9 |
| Catalog Number | AG00A3XP(AGN-PC-082O0Y) |
| Chemical Name | 3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one |
| IUPAC Name | 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one |
| InChI | InChI=1S/C13H15NO/c15-13-11-6-12(13)9-14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2 |
| InChI Key | DXLWDHDUFRJNJZ-UHFFFAOYSA-N |
| MDL Number | MFCD21642063 |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.2643 |
| SMILES | O=C1C2CN(CC3=CC=CC=C3)CC1C2 |
| Synonyms | 3-benzyl-3-azabicyclo(3.1.1)heptan-6-one,
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one,
1240529-14-9,
3-Benzyl-6-oxo-3-aza-bicyclo[3.1.1]heptane,
AC1Q6DUX,
SCHEMBL18339637,
CTK8E1780,
DTXSID70677642,
MFCD21642063,
AKOS026727204,
MCULE-8835424827,
SB19980,
AM803068,
TC-307378,
CS-0036657,
3-Benzyl-3-azabicyclo[3.1.1]heptane-6-one,
EN300-70097,
3-Benzyl-3-aza-bicyclo[3.1.1]heptan-6-one,
Z1020801264,
24522-49-4,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.269g/mol |
| Monoisotopic Mass | 201.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number