| CAS Number | 6588-68-7 |
| Catalog Number | AG00FG98(AGN-PC-009IOY) |
| Chemical Name | 1,3-Dimethyl-5-nitroadamantane |
| IUPAC Name | 1,3-dimethyl-5-nitroadamantane |
| InChI | InChI=1S/C12H19NO2/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)13(14)15/h9H,3-8H2,1-2H3 |
| InChI Key | FUZZFPVZJGQAKD-UHFFFAOYSA-N |
| MDL Number | MFCD25976403 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | O=[N+](C1(C2)CC3(C)CC2(C)CC(C3)C1)[O-] |
| Synonyms | 1,3-Dimethyl-5-nitroadamantane,
6588-68-7,
3,5-DiMethyl-1-nitroadaMantane,
AC1LC7XV,
SCHEMBL1073402,
1,2-Dimethyl-5-nitroadamantane,
DTXSID70344322,
FUZZFPVZJGQAKD-UHFFFAOYSA-N,
1,3-Dimethyl-5-nitroadamantane #,
AKOS022173011,
QC-1270,
AX8254037,
CID595939,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
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Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number