4-Pyridinepropanol - CAS 2629-72-3

Catalog:	BB019231
Product Name:	4-Pyridinepropanol
CAS:	2629-72-3
Synonyms:	3-pyridin-4-ylpropan-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-pyridin-4-ylpropan-1-ol
Description:	4-Pyridinepropanol (CAS# 2629-72-3) is a useful research chemical compound.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	C1=CN=CC=C1CCCO
InChI:	InChI=1S/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2
InChI Key:	PZVZGDBCMQBRMA-UHFFFAOYSA-N
Boiling Point:	289 °C
Melting Point:	35-39 °C
Purity:	95 %
Density:	1.061 g/cm³
Appearance:	Brown viscous liquid
MDL:	MFCD00047457
LogP:	1.00650

Publication Number	Title	Priority Date
CN-112300379-A	Crosslinked polyether reverse demulsifier and preparation method thereof	20191029
WO-2020021064-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
AU-2019309448-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mGluR4	20180726
CA-3102326-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
CN-112566906-A	Substituted quinazolinone derivatives and their use as positive allosteric modulators of MGLUR4	20180726

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	3
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6