1-Benzyl-3-pyrroline - CAS 6913-92-4

Catalog:	BB033703
Product Name:	1-Benzyl-3-pyrroline
CAS:	6913-92-4
Synonyms:	1-benzyl-2,5-dihydropyrrole

Technical Data

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Computed Properties

IUPAC Name:	1-benzyl-2,5-dihydropyrrole
Description:	1-Benzyl-3-pyrroline (CAS# 6913-92-4) is a useful research chemical.
Molecular Weight:	159.23
Molecular Formula:	C11H13N
Canonical SMILES:	C1C=CCN1CC2=CC=CC=C2
InChI:	InChI=1S/C11H13N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-7H,8-10H2
InChI Key:	LRFHKHHUKGZIGE-UHFFFAOYSA-N
Boiling Point:	60 °C (1 mmHg)
Purity:	98 %
Density:	0.837 g/cm³
MDL:	MFCD00012324
LogP:	1.99630

Publication Number	Title	Priority Date
CN-113307757-A	Preparation method of medical intermediate N-benzyl-3-pyrroline	20210526
US-2021253565-A1	Monoacylglycerol lipase modulators	20200210
KR-20190051933-A	Etchant composition for copper-containing metal layer and preparing method of an array substrate for liquid crystal display using same	20190508
KR-20190025595-A	Etchant composition for copper-containing metal layer and preparing method of an array substrate for liquid crystal display using same	20190227
JP-2018178009-A	Adhesive composition for semiconductor device and adhesive tape for semiconductor device	20170417

PMID	Publication Date	Title	Journal
16279768	20051117	SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors	Journal of medicinal chemistry

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Related Functional Groups

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5,5-Dimethyl-1-pyrroline N-Oxide

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.104799419
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2