1,5-Dimethyl-1H-pyrrole-2-carboxylic acid - CAS 73476-30-9

Catalog:	BB034850
Product Name:	1,5-Dimethyl-1H-pyrrole-2-carboxylic acid
CAS:	73476-30-9
Synonyms:	1,5-dimethylpyrrole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,5-dimethylpyrrole-2-carboxylic acid
Description:	1,5-Dimethyl-1H-pyrrole-2-carboxylic acid (CAS# 73476-30-9) is a useful research chemical.
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	CC1=CC=C(N1C)C(=O)O
InChI:	InChI=1S/C7H9NO2/c1-5-3-4-6(7(9)10)8(5)2/h3-4H,1-2H3,(H,9,10)
InChI Key:	NDJXNNQYGYBVNQ-UHFFFAOYSA-N
Boiling Point:	290.3 °C at 760 mmHg
Density:	1.15 g/cm³
MDL:	MFCD01859979
LogP:	1.03170

Publication Number	Title	Priority Date
JP-2021114435-A	Non-aqueous electrolyte additive, non-aqueous electrolyte and non-aqueous electrolyte secondary battery containing it	20200121
WO-2018089493-A1	PYRROLE mTORC INHIBITORS AND USES THEREOF	20161108
US-2017291917-A1	Kinase inhibitors	20160406
EP-3157938-A1	Hetero functional binding systems	20140617
US-2017115285-A1	Hetero functional binding systems	20140617

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Related Functional Groups

Pyrroles

[1227461-24-6]
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1175521-35-3]
Farinomalein
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[2973-17-3]
N-Allylmaleimide
[2051-97-0]
N-Benzylpyrrole
[22106-33-8]
4-(1H-Pyrrol-1-yl)benzoic acid

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:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.063328530
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9