Methyl 1-Benzyl-4-methylpyrrolidine-3-carboxylate - CAS 885958-67-8
Catalog: |
BB039021 |
Product Name: |
Methyl 1-Benzyl-4-methylpyrrolidine-3-carboxylate |
CAS: |
885958-67-8 |
Synonyms: |
4-methyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester; methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate |
IUPAC Name: | methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate |
Description: | Methyl 1-Benzyl-4-methylpyrrolidine-3-carboxylate (CAS# 885958-67-8) is a useful research chemical compound. |
Molecular Weight: | 233.31 |
Molecular Formula: | C14H19NO2 |
Canonical SMILES: | CC1CN(CC1C(=O)OC)CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H19NO2/c1-11-8-15(10-13(11)14(16)17-2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3 |
InChI Key: | KLQYKJMMAPSQCP-UHFFFAOYSA-N |
Boiling Point: | 302.2 °C at 760 mmHg |
Density: | 1.081 g/cm3 |
LogP: | 1.86540 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019074809-A1 | INDAZOLYL-SPIRO [2.2] PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | 20171011 |
EP-3694330-A1 | Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof | 20171011 |
US-2021188863-A1 | Indazolyl-spiro[2.2]pentane-carbonitrile derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof | 20171011 |
US-2015191476-A1 | Imidazotriazinone Compounds | 20120319 |
US-2017327502-A1 | Imidazotriazinone compounds | 20120319 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.141578849 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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