Methyl 4-Piperidineacetate Hydrochloride - CAS 81270-37-3

Catalog:	BB036637
Product Name:	Methyl 4-Piperidineacetate Hydrochloride
CAS:	81270-37-3
Synonyms:	2-(4-piperidinyl)acetic acid methyl ester;hydrochloride; methyl 2-piperidin-4-ylacetate;hydrochloride

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Computed Properties

IUPAC Name:	methyl 2-piperidin-4-ylacetate;hydrochloride
Description:	Methyl 4-Piperidineacetate Hydrochloride (CAS# 81270-37-3) is a useful research chemical.
Molecular Weight:	193.67
Molecular Formula:	C8H16ClNO2
Canonical SMILES:	COC(=O)CC1CCNCC1.Cl
InChI:	InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3;1H
InChI Key:	ADBDFGZYGJGDNJ-UHFFFAOYSA-N
Boiling Point:	253 °C at 760 mmHg
Solubility:	Water : Soluble
Appearance:	White to light yellow powder
MDL:	MFCD09261419
LogP:	1.67990

Publication Number	Title	Priority Date
WO-2021021535-A1	Glucose-responsive insulin conjugates	20190730
WO-2020138389-A1	Nanoparticle, contrast agent for magnetic resonance imaging comprising same and zwitterionic ligand compound	20181227
WO-2020138404-A1	Method for producing nanoparticles including metal particles containing iron oxide having at least one hydrophilic ligand coordinated thereto	20181227
WO-2020010228-A1	Deconstructive functionalization methods and compounds	20180706
CN-112368282-A	Azabenzimidazole compounds and pharmaceuticals	20180508

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
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:	0
Undefined Bond Stereocenter Count:	0