| CAS Number | 280-75-1 |
| Catalog Number | AG003JUJ(AGN-PC-08XR9D) |
| Chemical Name | 3-Oxa-7-azabicyclo[3.3.1]nonane |
| IUPAC Name | 3-oxa-7-azabicyclo[3.3.1]nonane |
| InChI | InChI=1S/C7H13NO/c1-6-2-8-3-7(1)5-9-4-6/h6-8H,1-5H2 |
| InChI Key | DTGDMYHJFTVULL-UHFFFAOYSA-N |
| MDL Number | MFCD17480501 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | C1(C2)COCC2CNC1 |
| Synonyms | 3-oxa-7-azabicyclo[3.3.1]nonane,
280-75-1,
EN300-89737,
AC1Q1IE5,
SCHEMBL288291,
CTK1A4550,
KS-00000EAD,
DTXSID80679036,
3-Aza-7-oxabicyclo[3.3.1]nonane,
5919AJ,
FCH950139,
MFCD17480501,
AKOS006351252,
SB15432,
TRA0075083,
CS-11885,
SY032543,
FT-0770361,
MFCD17480501 (95%),
F2196-0019,
C7H13NO,
|
| Complexity | 95.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number