1,2,5-Trimethylpyrrole - CAS 930-87-0

Catalog:	BB040768
Product Name:	1,2,5-Trimethylpyrrole
CAS:	930-87-0
Synonyms:	1,2,5-trimethylpyrrole

Technical Data

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Computed Properties

IUPAC Name:	1,2,5-trimethylpyrrole
Description:	1,2,5-Trimethylpyrrole (CAS# 930-87-0) is a useful research chemical.
Molecular Weight:	109.17
Molecular Formula:	C7H11N
Canonical SMILES:	CC1=CC=C(N1C)C
InChI:	InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
InChI Key:	YRABRACUKBOTKB-UHFFFAOYSA-N
Boiling Point:	173-173 °C
Purity:	95 %
Density:	0.807 g/mL at 25 °C (lit.)
Solubility:	770.3 mg/L at 25 °C (est)
Appearance:	Clear yellow to brown liquid
MDL:	MFCD00003090
LogP:	1.64190

Publication Number	Title	Priority Date
CN-113501776-A	Near-infrared luminous free radical cation compound and preparation and application thereof	20210630
CN-113073346-A	Electrochemical method for simultaneously preparing o-diol and pyrrole methoxylation products	20200106
WO-2021050964-A1	Hpk1 antagonists and uses thereof	20190913
WO-2021016208-A1	Methods of treating congenital adrenal hyperplasia	20190719
US-2020369699-A1	Organic electroluminescent materials and devices	20190521

PMID	Publication Date	Title	Journal
21639117	20110715	Cu(I)- and Cu(II)-catalyzed cyclo- and Michael addition reactions of unsaturated β-ketoesters	The Journal of organic chemistry
19331357	20090501	Carbon nucleophilicities of indoles in S(N)Ar substitutions of superelectrophilic 7-chloro-4,6-dinitrobenzofuroxan and -benzofurazan	The Journal of organic chemistry
12952422	20030910	Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions	Journal of agricultural and food chemistry

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Related Functional Groups

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[68471-57-8]
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[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole
[5449-87-6]
1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	70.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.089149355
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5