4-(Aminomethyl)-1-Boc-4-methylpiperidine - CAS 236406-22-7
Catalog: |
BB018127 |
Product Name: |
4-(Aminomethyl)-1-Boc-4-methylpiperidine |
CAS: |
236406-22-7 |
Synonyms: |
4-(aminomethyl)-4-methyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate |
Description: | 4-(Aminomethyl)-1-Boc-4-methylpiperidine (CAS# 236406-22-7) is a useful research chemical. |
Molecular Weight: | 228.33 |
Molecular Formula: | C12H24N2O2 |
Canonical SMILES: | CC1(CCN(CC1)C(=O)OC(C)(C)C)CN |
InChI: | InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-9,13H2,1-4H3 |
InChI Key: | VMTNDQIIDCSDOU-UHFFFAOYSA-N |
Boiling Point: | 304.8 °C at 760 mmHg |
Density: | 1.002 g/cm3 |
MDL: | MFCD12408568 |
LogP: | 2.62050 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
EP-3515916-A1 | Shp2 phosphatase inhibitors and methods of use thereof | 20160922 |
US-2019307745-A1 | Shp2 phosphatase inhibitors and methods of use thereof | 20160922 |
WO-2018057884-A1 | Shp2 phosphatase inhibitors and methods of use thereof | 20160922 |
WO-2016100823-A1 | Dopamine d2 receptor ligands | 20141219 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.183778013 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Amines and Anilines
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