3-Azaspiro[5.5]undecane - CAS 180-44-9

Name: 3-Azaspiro[5.5]undecane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013702
Product Name:	3-Azaspiro[5.5]undecane
CAS:	180-44-9
Synonyms:	3-azaspiro[5.5]undecane; 3-azaspiro[5.5]undecane

Technical Data

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Computed Properties

IUPAC Name:	3-azaspiro[5.5]undecane
Description:	3-Azaspiro[5.5]undecane (CAS# 180-44-9) is an M2 proton channel blocker. It is salt free form of 4,4-Pentamethylenepiperidine Hydrochloride (P271760).
Molecular Weight:	153.26
Molecular Formula:	C10H19N
Canonical SMILES:	C1CCC2(CC1)CCNCC2
InChI:	InChI=1S/C10H19N/c1-2-4-10(5-3-1)6-8-11-9-7-10/h11H,1-9H2
InChI Key:	LIZKZVQBLDHKCY-UHFFFAOYSA-N
Boiling Point:	223.2 °C at 760 mmHg
Density:	0.93 g/cm³
LogP:	2.64910

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Related Functional Groups

Amines and Anilines

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[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	117
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.151749610
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.151749610
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9