3-Pyrroline Hydrochloride - CAS 63468-63-3

Catalog:	BB032162
Product Name:	3-Pyrroline Hydrochloride
CAS:	63468-63-3
Synonyms:	2,5-dihydro-1H-pyrrole;hydrochloride; 2,5-dihydro-1H-pyrrole;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2,5-dihydro-1H-pyrrole;hydrochloride
Description:	3-Pyrroline Hydrochloride (CAS# 63468-63-3) is a useful research chemical.
Molecular Weight:	105.57
Molecular Formula:	C4H8ClN
Canonical SMILES:	C1C=CCN1.Cl
InChI:	InChI=1S/C4H7N.ClH/c1-2-4-5-3-1;/h1-2,5H,3-4H2;1H
InChI Key:	GBGHNSYFGCVGDX-UHFFFAOYSA-N
LogP:	1.27660

Publication Number	Title	Priority Date
CN-113185440-A	Preparation method of medical intermediate N-BOC-3-pyrroline	20210513
WO-2020153431-A1	Ester compound	20190124
WO-2020153433-A1	Substituent-including urea compound	20190124
TW-202043239-A	Urea compounds with substituents	20190124
TW-202045515-A	Ester compound	20190124

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Related Functional Groups

Pyrrolines

[872-32-2]
2-Methyl-1-pyrroline
[10135-38-3]
3,3,5,5-Tetramethyl-1-pyrroline N-oxide
[59480-92-1]
2,5-Dimethyl-3-pyrroline, mixture of cis and trans

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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:	41.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	105.0345270
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	105.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0