1-Boc-4-bromo-1,2,3,6-tetrahydropyridine - CAS 159503-91-0
Catalog: |
BB011540 |
Product Name: |
1-Boc-4-bromo-1,2,3,6-tetrahydropyridine |
CAS: |
159503-91-0 |
Synonyms: |
4-bromo-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 4-bromo-3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | 1-Boc-4-bromo-1,2,3,6-tetrahydropyridine (CAS# 159503-91-0) is a useful research chemical. |
Molecular Weight: | 262.14 |
Molecular Formula: | C10H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=CC1)Br |
InChI: | InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h4H,5-7H2,1-3H3 |
InChI Key: | PQILACDFDBWRNK-UHFFFAOYSA-N |
LogP: | 2.84390 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021003314-A1 | Heterocyclic compounds as kinase inhibitors | 20190702 |
US-2019248774-A1 | Heterocyclic compounds as kinase inhibitors | 20180215 |
IL-276509-D0 | Heterocyclic compounds as kinase inhibitors | 20180215 |
KR-20200131246-A | Heterocyclic compounds as kinase inhibitors | 20180215 |
BR-112020015431-A2 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | 20180215 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.03644 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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