Ethyl pipecolinate hydrochloride - CAS 77034-33-4

Catalog:	BB035788
Product Name:	Ethyl pipecolinate hydrochloride
CAS:	77034-33-4
Synonyms:	ethyl piperidine-2-carboxylate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	ethyl piperidine-2-carboxylate;hydrochloride
Description:	Ethyl pipecolinate hydrochloride (CAS# 77034-33-4) is a useful research chemical.
Molecular Weight:	193.67
Molecular Formula:	C8H15NO2 · HCl
Canonical SMILES:	CCOC(=O)C1CCCCN1.Cl
InChI:	InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-5-3-4-6-9-7;/h7,9H,2-6H2,1H3;1H
InChI Key:	KGAWPIXNSIYQPC-UHFFFAOYSA-N
Boiling Point:	254 °C at 760 mmHg
Melting Point:	211-213 °C
Purity:	99 %
MDL:	MFCD00134518
LogP:	1.82240

Publication Number	Title	Priority Date
CN-113194742-A	Antagonists of T2R54 and their compositions and uses	20180810
AU-2012245118-A1	1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof	20110420
EP-2699570-A1	1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof	20110420
EP-2699570-B1	1,4-disubstituted 1,2,3-triazoles, their preparation processes and their diagnostic and therapeutic uses	20110420
US-10059704-B2	1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof	20110420

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GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.0869564
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.0869564
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0