3-(Aminomethyl)pyrrole - CAS 888473-50-5

Catalog:	BB039271
Product Name:	3-(Aminomethyl)pyrrole
CAS:	888473-50-5
Synonyms:	1H-pyrrol-3-ylmethanamine; 1H-pyrrol-3-ylmethanamine

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Computed Properties

IUPAC Name:	1H-pyrrol-3-ylmethanamine
Description:	3-(Aminomethyl)pyrrole (CAS# 888473-50-5 ) is a useful research chemical.
Molecular Weight:	96.13
Molecular Formula:	C5H8N2
Canonical SMILES:	C1=CNC=C1CN
InChI:	InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h1-2,4,7H,3,6H2
InChI Key:	YECAHBRVIMAHCI-UHFFFAOYSA-N
LogP:	1.17370

Publication Number	Title	Priority Date
WO-2014056771-A1	New pyrrolidine derivatives and their use as acetyl-coa carboxylase inhibitors	20121008
WO-2013098373-A1	New azetidine derivatives, pharmaceutical compositions and uses thereof	20111229
WO-2013092976-A1	New piperidine derivatives, pharmaceutical compositions and uses thereof	20111223
EP-2115034-A1	Thermosetting composition	20070208
EP-2115034-B1	Thermosetting composition	20070208

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	54
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.068748264
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	96.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4