| CAS Number | 936940-48-6 |
| Catalog Number | AG0061I3(AGN-PC-0WB3JM) |
| Chemical Name | 1-(2-Methylpyridin-4-yl)-1,4-diazepane |
| IUPAC Name | 1-(2-methylpyridin-4-yl)-1,4-diazepane |
| InChI | InChI=1S/C11H17N3/c1-10-9-11(3-5-13-10)14-7-2-4-12-6-8-14/h3,5,9,12H,2,4,6-8H2,1H3 |
| InChI Key | IZLOJOPPJPNMRS-UHFFFAOYSA-N |
| MDL Number | MFCD09864326 |
| Molecular Formula | C11H17N3 |
| Molecular Weight | 191.2728 |
| SMILES | N1(CCNCCC1)C1C=CN=C(C)C=1 |
| Synonyms | 1-(2-METHYLPYRIDIN-4-YL)-1,4-DIAZEPANE,
936940-48-6,
CTK5H2825,
DTXSID70650874,
MFCD09864326,
ZINC19090024,
AKOS006283256,
AJ-71324,
1-(2-Methyl-4-pyridinyl)-1,4-diazepane,
Y-5720,
1-(2-Methylpyridin-4-yl)-1,4-diazepane, AldrichCPR,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.278g/mol |
| Monoisotopic Mass | 191.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302
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Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number