1-Boc-4-(chloromethyl)piperidine - CAS 479057-79-9
Catalog: |
BB026425 |
Product Name: |
1-Boc-4-(chloromethyl)piperidine |
CAS: |
479057-79-9 |
Synonyms: |
4-(chloromethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(chloromethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(chloromethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-(chloromethyl)piperidine (CAS# 479057-79-9) is a useful research chemical. |
Molecular Weight: | 233.74 |
Molecular Formula: | C11H20ClNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)CCl |
InChI: | InChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3 |
InChI Key: | CTSABEXZMPJSGO-UHFFFAOYSA-N |
MDL: | MFCD08689676 |
LogP: | 2.81020 |
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 |
EP-3523292-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
US-2019315716-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
WO-2018071343-A1 | Heteroaryl compounds and their use as mer inhibitors | 20161010 |
US-10913730-B2 | Heteroaryl compounds and their use as Mer inhibitors | 20161010 |
CN-107417687-A | Five-ring heterocycles simultaneously [3,4 d] pyridazinone compound, its preparation method, pharmaceutical composition and its application | 20160524 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.1182566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.1182566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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