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Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride

Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride - CAS 252932-49-3

Catalog:	BB018845
Product Name:	Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride
CAS:	252932-49-3
Synonyms:	3-amino-1H-pyrrole-2-carboxylic acid ethyl ester;hydrochloride; ethyl 3-amino-1H-pyrrole-2-carboxylate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-amino-1H-pyrrole-2-carboxylate;hydrochloride
Description:	Ethyl 3-Aminopyrrole-2-carboxylate Hydrochloride (CAS# 252932-49-3) is a useful research chemical.
Molecular Weight:	190.63
Molecular Formula:	C7H11ClN2O2
Canonical SMILES:	CCOC(=O)C1=C(C=CN1)N.Cl
InChI:	InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)6-5(8)3-4-9-6;/h3-4,9H,2,8H2,1H3;1H
InChI Key:	MWWQOUGXCWIOSR-UHFFFAOYSA-N
Boiling Point:	310.9 °C at 760 mmHg
MDL:	MFCD04038917
LogP:	2.15680

Publication Number	Title	Priority Date
US-2019100524-A1	First-in-class of shmt2 and mthfd2 inhibitors as antitumor agents	20170831
WO-2019046612-A1	INHIBITORS OF FIRST-CATEGORY SHMT2 AND MTHFD2 AS ANTI-TUMOR AGENTS	20170831
EP-3675864-A1	First-in-class of shmt2 and mthfd2 inhibitors as antitumor agents	20170831
US-10793573-B2	First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents	20170831
US-2021047332-A1	First-in-class of shmt2 and mthfd2 inhibitors as antitumor agents	20170831

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.0509053
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	190.0509053
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0