1-(Tetrahydropyran-4-yl)piperazine - CAS 398137-19-4

Catalog:	BB024146
Product Name:	1-(Tetrahydropyran-4-yl)piperazine
CAS:	398137-19-4
Synonyms:	1-(4-oxanyl)piperazine; 1-(oxan-4-yl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(oxan-4-yl)piperazine
Description:	1-(Tetrahydropyran-4-yl)piperazine (CAS# 398137-19-4) is a useful research chemical.
Molecular Weight:	170.25
Molecular Formula:	C9H18N2O
Canonical SMILES:	C1COCCC1N2CCNCC2
InChI:	InChI=1S/C9H18N2O/c1-7-12-8-2-9(1)11-5-3-10-4-6-11/h9-10H,1-8H2
InChI Key:	GWNSHRCBWQEQPK-UHFFFAOYSA-N
MDL:	MFCD11858471
LogP:	0.33730

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GHS Hazard Statement:	H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.141913202
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.141913202
Rotatable Bond Count:	1
Topological Polar Surface Area:	24.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0