2-(Benzylamino)benzonitrile - CAS 5589-62-8

Catalog:	BB055072
Product Name:	2-(Benzylamino)benzonitrile
CAS:	5589-62-8
Synonyms:	2-(benzylamino)benzonitrile; N-benzylanthranilonitrile; 2-Benzylaminobenzonitrile; 2-(Benzylamino)

Technical Data

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Computed Properties

IUPAC Name:	2-(benzylamino)benzonitrile
Molecular Weight:	208.26
Molecular Formula:	C14H12N2
Canonical SMILES:	C1=CC=C(C=C1)CNC2=CC=CC=C2C#N
InChI:	InChI=1S/C14H12N2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,16H,11H2
InChI Key:	JNNJQGFCEMZAQR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3326715-A1	Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute	20150720
US-10500577-B2	Oxalic amide ligands, and uses thereof in copper-catalyzed coupling reaction of aryl halides	20150720
US-2018207628-A1	Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute	20150720
WO-2017012379-A1	Oxalic acid monoamide ligand, and uses thereof in coupling reaction of copper-catalyzed aryl halogen substitute	20150720
AU-2015244060-A1	Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators	20140407
AU-2015244060-B2	Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators	20140407
CA-2944074-A1	Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators	20140407
CN-106458891-A	Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators	20140407
CN-106458891-B	The amides containing carbazole, carbamates and ureas as cryptochrome regulator	20140407
CN-110003172-A	The amides containing carbazole, carbamates and ureas as cryptochrome regulator	20140407

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.100048391
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.100048391
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7