Di(1-imidazolyl)methanimine - CAS 104619-51-4

Catalog:	BB001437
Product Name:	Di(1-imidazolyl)methanimine
CAS:	104619-51-4
Synonyms:	bis(1-imidazolyl)methanimine; di(imidazol-1-yl)methanimine

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Computed Properties

IUPAC Name:	di(imidazol-1-yl)methanimine
Description:	Di(1-imidazolyl)methanimine (CAS# 104619-51-4) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C7H7N5
Canonical SMILES:	C1=CN(C=N1)C(=N)N2C=CN=C2
InChI:	InChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H
InChI Key:	FKGQRXQOODICAT-UHFFFAOYSA-N
Boiling Point:	355.1 °C at 760 mmHg
Density:	1.38 g/cm³
Storage:	Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C
LogP:	0.51050

Publication Number	Title	Priority Date
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
WO-2021151926-A1	Pesticidally active fused bicyclic heteroaromatic amino compounds	20200130
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2020260252-A1	New macrocyclic compounds and derivatives as egfr inhibitors	20190624
WO-2020223133-A1	Methods and reagents for cleavage of the n-terminal amino acid from a polypeptide	20190430

PMID	Publication Date	Title	Journal
12375997	20021018	Direct synthesis of guanidines using di(imidazole-1-yl)methanimine	The Journal of organic chemistry

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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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.07014524
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.07014524
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2