1-Ethyl-3-pyrrolidinol - CAS 30727-14-1

Catalog:	BB020696
Product Name:	1-Ethyl-3-pyrrolidinol
CAS:	30727-14-1
Synonyms:	3-Pyrrolidinol, 1-ethyl-; N-Ethyl-3-hydroxypyrrolidine; N-Ethyl-3-pyrrolidinol; NSC 88610; 1-Ethyl-3-hydroxypyrrolidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-ethylpyrrolidin-3-ol
Description:	1-Ethyl-3-pyrrolidinol (CAS# 30727-14-1) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	CCN1CCC(C1)O
InChI:	InChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChI Key:	IDBNECMSCRAUNU-UHFFFAOYSA-N
Boiling Point:	117-118°C
Purity:	≥95%
Density:	1.007±0.06 g/cm3
Appearance:	Colorless to Brown Clear Liquid
Storage:	Store at RT
MDL:	MFCD00003179
LogP:	0.01080

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Related Functional Groups

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[55727-59-8]
2-(Pyrrolidin-1-ylmethyl)aniline
[1353995-46-6]
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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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1