1-(2-Cyanoethyl)pyrrole - CAS 43036-06-2

Catalog:	BB025305
Product Name:	1-(2-Cyanoethyl)pyrrole
CAS:	43036-06-2
Synonyms:	3-pyrrol-1-ylpropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	3-pyrrol-1-ylpropanenitrile
Description:	1-(2-Cyanoethyl)pyrrole (CAS# 43036-06-2) is used in the synthesis of 2-pyridines. It is also used in the preparation of indoles/pyrroles.
Molecular Weight:	120.15
Molecular Formula:	C7H8N2
Canonical SMILES:	C1=CN(C=C1)CCC#N
InChI:	InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
InChI Key:	IYOLJLGYJMJLSU-UHFFFAOYSA-N
Boiling Point:	132-133 ℃ / 10 mmHg (lit.)
Density:	1.048 g/mL at 25℃(lit.)
MDL:	MFCD00003092
LogP:	1.40178

Publication Number	Title	Priority Date
WO-2021100699-A1	Black particles, black coating material, coating film, and black matrix for color filters	20191118
CN-110632207-A	Method for identifying mold based on volatile gas components and evolution trend thereof	20191010
WO-2020023710-A1	Substituted tetrahydrocyclopenta[c]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same	20180727
CN-112638376-A	Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof	20180727
KR-20210039417-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrolysine, analogs thereof, and methods of use thereof	20180727

PMID	Publication Date	Title	Journal
21388107	20110330	Structural and electronic properties of poly[N-(2-cyanoalkyl)pyrrole]s bearing small alkyl groups	The journal of physical chemistry. B
22346690	20090101	Applications and advances in electronic-nose technologies	Sensors (Basel, Switzerland)
17383247	20070701	Covalent attachment of proteins to functionalized polypyrrole-coated metallic surfaces for improved biocompatibility	Acta biomaterialia

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[5071-96-5]
3-Methoxybenzylamine
[614-16-4]
Benzoylacetonitrile

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[134272-63-2]
N-Boc-2-maleimidoethylamine
[30186-41-5]
1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
[1018163-28-4]
3-Isopropyl-5-pyrrolidin-2-ylisoxazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.068748264
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.068748264
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3