4-(Prop-2-yn-1-yloxy)piperidine Hydrochloride - CAS 1185100-09-7

Catalog:	BB072709
Product Name:	4-(Prop-2-yn-1-yloxy)piperidine Hydrochloride
CAS:	1185100-09-7
Synonyms:	4-(2-Propynyloxy)piperidine hydrochloride; 4-(prop-2-yn-1-yloxy)piperidine hydrochloride; 4-(2-Propynyloxy)piperidinehydrochloride; 4-prop-2-ynoxypiperidine; hydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-prop-2-ynoxypiperidinehydrochloride
Molecular Weight:	175.65
Molecular Formula:	C8H13NO·HCl
Canonical SMILES:	C#CCOC1CCNCC1.Cl
InChI:	InChI=1S/C8H13NO.ClH/c1-2-7-10-8-3-5-9-6-4-8/h1,8-9H,3-7H21H
InChI Key:	BLVLQRJNIQRPMQ-UHFFFAOYSA-N

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0763918
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.0763918
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0