5-Pyrimidineethanamine - CAS 856973-36-9

Catalog:	BB037688
Product Name:	5-Pyrimidineethanamine
CAS:	856973-36-9
Synonyms:	2-(5-pyrimidinyl)ethanamine; 2-pyrimidin-5-ylethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-pyrimidin-5-ylethanamine
Description:	5-Pyrimidineethanamine (CAS# 856973-36-9 ) is a useful research chemical.
Molecular Weight:	123.16
Molecular Formula:	C6H9N3
Canonical SMILES:	C1=C(C=NC=N1)CCN
InChI:	InChI=1S/C6H9N3/c7-2-1-6-3-8-5-9-4-6/h3-5H,1-2,7H2
InChI Key:	KZDUEURFEGZGOO-UHFFFAOYSA-N
LogP:	0.67810

Publication Number	Title	Priority Date
WO-2019244939-A1	Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element using same, and production method for said liquid crystal display element, and diamine compound	20180619
US-2020286923-A1	Array antenna, method for producing same, and liquid crystal aligning agent for array antenna	20171227
CN-109206550-A	A kind of hydridization supermolecular mechanism dynamic aggregation object	20170630
JP-2018150226-A	Method for producing core-shell type silica	20170310
WO-2018025872-A1	Liquid crystal display element equipped with liquid crystal panel having curved surface and liquid crystal aligning agent for same	20160803

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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+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.079647300
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.079647300
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5