4-(3-Pyrrolyl)butyric acid - CAS 30000-61-4

Catalog:	BB020410
Product Name:	4-(3-Pyrrolyl)butyric acid
CAS:	30000-61-4
Synonyms:	4-(1H-pyrrol-3-yl)butanoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(1H-pyrrol-3-yl)butanoic acid
Description:	4-(3-Pyrrolyl)butyric acid (CAS# 30000-61-4 ) is a useful research chemical.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	C1=CNC=C1CCCC(=O)O
InChI:	InChI=1S/C8H11NO2/c10-8(11)3-1-2-7-4-5-9-6-7/h4-6,9H,1-3H2,(H,10,11)
InChI Key:	ZILGRACWFSKIFU-UHFFFAOYSA-N
Boiling Point:	328 °C at 760 mmHg
Melting Point:	91-95 °C
Purity:	95 %
Density:	1.194 g/cm³
MDL:	MFCD07438025
LogP:	1.42200

Publication Number	Title	Priority Date
EP-3253583-A1	Thermal management films containing phase change materials	20150204
EP-3254331-A1	Systems, structures and materials for electrochemical device thermal management	20150204
JP-2018507773-A	Thermal management film containing phase change material	20150204
JP-2018514052-A	Systems, structures and materials for thermal management of electrochemical devices	20150204
KR-20170108156-A	Systems, structures and materials for electrochemical device thermal management	20150204

PMID	Publication Date	Title	Journal
19705837	20090914	Characterization of electroconductive blends of poly(HEMA-co-PEGMA-co-HMMA-co-SPMA) and poly(Py-co-PyBA)	Biomacromolecules
22303136	20090101	DNA hybridization sensors based on electrochemical impedance spectroscopy as a detection tool	Sensors (Basel, Switzerland)

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Related Functional Groups

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N-Allylmaleimide

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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8