Methyl 1,2,3,6-Tetrahydropyridine-4-carboxylate Hydrochloride - CAS 70684-82-1
Catalog: |
BB034213 |
Product Name: |
Methyl 1,2,3,6-Tetrahydropyridine-4-carboxylate Hydrochloride |
CAS: |
70684-82-1 |
Synonyms: |
1,2,3,6-tetrahydropyridine-4-carboxylic acid methyl ester;hydrochloride; methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrochloride |
IUPAC Name: | methyl 1,2,3,6-tetrahydropyridine-4-carboxylate;hydrochloride |
Description: | Methyl 1,2,3,6-Tetrahydropyridine-4-carboxylate Hydrochloride (CAS# 70684-82-1) is also an intermediate for 1,2,3,6-Tetrahydro-4-pyridinemethanol (T295540) and a methyl ester of Isoguvacine Hydrochloride (I819560). |
Molecular Weight: | 177.63 |
Molecular Formula: | C7H12ClNO2 |
Canonical SMILES: | COC(=O)C1=CCNCC1.Cl |
InChI: | InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-2-4-8-5-3-6;/h2,8H,3-5H2,1H3;1H |
InChI Key: | YTSAAQMJVBJTJS-UHFFFAOYSA-N |
LogP: | 1.20990 |
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-0000167-A1 | 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. | 19770620 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0556563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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