2-Pyrrolemethanamine - CAS 64608-72-6

Catalog:	BB032515
Product Name:	2-Pyrrolemethanamine
CAS:	64608-72-6
Synonyms:	1H-pyrrol-2-ylmethanamine; 1H-pyrrol-2-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	1H-pyrrol-2-ylmethanamine
Description:	2-(Aminomethyl)pyrrole was used to prepare benzodipyrrolic derivatives to be evaluated as neutral receptors for anions.
Molecular Weight:	96.13
Molecular Formula:	C5H8N2
Canonical SMILES:	C1=CNC(=C1)CN
InChI:	InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2
InChI Key:	YXMWGHKZTMANIJ-UHFFFAOYSA-N
Boiling Point:	217.503 ℃ at 760 mmHg
Density:	1.096 g/cm³
Appearance:	Liquid
LogP:	1.17370

Publication Number	Title	Priority Date
CN-112759533-A	Method for generating nitrile by catalyzing amine oxidation through nonmetal mesoporous nitrogen-doped carbon material	20191106
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
CN-109999754-A	The preparation of polluted by copper material under a kind of environment for high-speed rail	20190311
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
RU-2739761-C2	Method of producing n-alkyl-n-{[3-alkyl-3,8-diazabicyclo[3_2_1]octa-1(7),5-dien-8-yl]methyl}amines and use thereof as antimicrobial activity agents	20180927

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, 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