1-(4-Imidazolyl)-N-methylmethanamine - CAS 944897-75-0

Catalog:	BB041356
Product Name:	1-(4-Imidazolyl)-N-methylmethanamine
CAS:	944897-75-0
Synonyms:	1-(1H-imidazol-5-yl)-N-methylmethanamine; 1-(1H-imidazol-5-yl)-N-methylmethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(1H-imidazol-5-yl)-N-methylmethanamine
Description:	1-(4-Imidazolyl)-N-methylmethanamine (CAS# 944897-75-0 ) is a useful research chemical.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CNCC1=CN=CN1
InChI:	InChI=1S/C5H9N3/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3,(H,7,8)
InChI Key:	VYAFJWHVHCBQBJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020099925-A2	Peptides and pharmaceutical compositions for treating eye diseases	20181114
US-2019308978-A1	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
US-10899769-B2	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
AU-2017283790-B2	Substituted pyridines as inhibitors of DNMT1	20160613
EP-3468953-A1	Substituted pyridines as inhibitors of dnmt1	20160613

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Related Functional Groups

Amines and Anilines

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.079647300
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.079647300
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5