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4-Ethylpiperidine-4-carboxylic Acid Methyl Ester Hydrochloride

4-Ethylpiperidine-4-carboxylic Acid Methyl Ester Hydrochloride - CAS 1205749-08-1

Catalog:	BB063235
Product Name:	4-Ethylpiperidine-4-carboxylic Acid Methyl Ester Hydrochloride
CAS:	1205749-08-1
Synonyms:	methyl 4-ethylpiperidine-4-carboxylate hydrochloride; Methyl 4-ethyl-4-piperidinecarboxylate hydrochloride; methyl 4-ethylpiperidine-4-carboxylate; hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-ethylpiperidine-4-carboxylatehydrochloride
Molecular Weight:	171.23 + (36.46)
Molecular Formula:	C9H17NO2·HCl
Canonical SMILES:	CCC1(CCNCC1)C(=O)OC.Cl
InChI:	InChI=1S/C9H17NO2.ClH/c1-3-9(8(11)12-2)4-6-10-7-5-9/h10H,3-7H2,1-2H31H
InChI Key:	MVPPUJFJCDITEH-UHFFFAOYSA-N
References:	Abeywardane, A., et.al. Argent., Pat. Appl., 107, (2013).

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.1026065
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	207.1026065
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0