1-Piperidinepropanol - CAS 104-58-5

Catalog:	BB001416
Product Name:	1-Piperidinepropanol
CAS:	104-58-5
Synonyms:	3-piperidin-1-ylpropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-piperidin-1-ylpropan-1-ol
Description:	1-Piperidinepropanol (CAS# 104-58-5) is a useful research chemical.
Molecular Weight:	143.23
Molecular Formula:	C8H17NO
Canonical SMILES:	C1CCN(CC1)CCCO
InChI:	InChI=1S/C8H17NO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-8H2
InChI Key:	PLRXAFVBCHEMGD-UHFFFAOYSA-N
Boiling Point:	94-95 °C / 0.5 mmHg (lit.)
Density:	0.944 g/mL at 25 °C (lit.)
Appearance:	Colorless to yellow liquid
Storage:	Sealed in dry, Room Temperature
LogP:	0.79260

Publication Number	Title	Priority Date
CN-111925846-A	High-efficiency thioether and thiophene removal solvent and application thereof	20200706
WO-2021197339-A1	Crystal form of quinopyrrolidine-2-one compound serving as atm inhibitor and use thereof	20200330
WO-2021177944-A1	Catalyst composition for polyurethanes	20200303
WO-2021177946-A1	Catalysts for the formation of polyurethanes	20200303
WO-2021154842-A1	Compounds, compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding	20200128

PMID	Publication Date	Title	Journal
22470321	20120101	Novel chalcone-based fluorescent human histamine h(3) receptor ligands as pharmacological tools	Frontiers in systems neuroscience
16466921	20060515	Ether derivatives of 3-piperidinopropan-1-ol as non-imidazole histamine H3 receptor antagonists	Bioorganic & medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H302+H312+H332 (12.77%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.131014166
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8