4-Bromomethylpiperidine Hydrobromide - CAS 65920-56-1
Catalog: |
BB032861 |
Product Name: |
4-Bromomethylpiperidine Hydrobromide |
CAS: |
65920-56-1 |
Synonyms: |
4-(bromomethyl)piperidine;hydrobromide; 4-(bromomethyl)piperidine;hydrobromide |
IUPAC Name: | 4-(bromomethyl)piperidine;hydrobromide |
Description: | 4-Bromomethylpiperidine Hydrobromide (CAS# 65920-56-1) is a useful research chemical. |
Molecular Weight: | 258.98 |
Molecular Formula: | C6H13Br2N |
Canonical SMILES: | C1CNCCC1CBr.Br |
InChI: | InChI=1S/C6H12BrN.BrH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H |
InChI Key: | YQNLBRMAXPPMNV-UHFFFAOYSA-N |
Boiling Point: | 254.7 °C at 760 mmHg |
MDL: | MFCD12031709 |
LogP: | 2.66780 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017380282-A1 | Pyran derivatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
BR-112019012906-A2 | pyran derivatives as cyp11a1 inhibitors (cytochrome p450 monooxygenase 11a1) | 20161222 |
CA-3047370-A1 | Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
CN-110139861-A | Pyran derivate as CYP11A1 (cytochrome P 450 monooxygenases 11A1) inhibitor | 20161222 |
EP-3558981-A1 | Pyran dervatives as cyp11a1 (cytochrome p450 monooxygenase 11a1) inhibitors | 20161222 |
Complexity: | 59.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.93943 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.94147 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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