1-Boc-4-(hydroxymethyl)-4-methylpiperidine - CAS 236406-21-6
Catalog: |
BB018126 |
Product Name: |
1-Boc-4-(hydroxymethyl)-4-methylpiperidine |
CAS: |
236406-21-6 |
Synonyms: |
4-(hydroxymethyl)-4-methyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate |
Description: | 1-Boc-4-(hydroxymethyl)-4-methylpiperidine (CAS# 236406-21-6) is a useful research chemical. |
Molecular Weight: | 229.32 |
Molecular Formula: | C12H23NO3 |
Canonical SMILES: | CC1(CCN(CC1)C(=O)OC(C)(C)C)CO |
InChI: | InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3 |
InChI Key: | YFYSPIRFZKBBAU-UHFFFAOYSA-N |
Boiling Point: | 312.418 °C at 760 mmHg |
Density: | 1.034 g/cm3 |
MDL: | MFCD08062516 |
LogP: | 1.95380 |
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 |
WO-2021207172-A1 | Compounds and methods for targeted degradation of kras | 20200406 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
US-2021147360-A1 | Ssao inhibitors and use thereof | 20191029 |
WO-2021083209-A1 | Ssao inhibitors and use thereof | 20191029 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.16779360 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.16779360 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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