2-Benzylaminopyridine - CAS 6935-27-9

Name: 2-Benzylaminopyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033786
Product Name:	2-Benzylaminopyridine
CAS:	6935-27-9
Synonyms:	N-benzylpyridin-2-amine

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Computed Properties

IUPAC Name:	N-benzylpyridin-2-amine
Description:	2-Benzylaminopyridine (CAS# 6935-27-9) is used as a reactant in the amination of aryl chlorides, bromides, and triflates catalyzed by palladium complexes.
Molecular Weight:	184.24
Molecular Formula:	C12H12N2
Canonical SMILES:	C1=CC=C(C=C1)CNC2=CC=CC=N2
InChI:	InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
InChI Key:	WYHXNQXDQQMTQI-UHFFFAOYSA-N
Boiling Point:	116-131 °C (0.6 mmHg)
Purity:	98.0%
Density:	1.131 g/cm³
Appearance:	White to off-white powder
MDL:	MFCD00006251
LogP:	2.76670

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Related Functional Groups

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[1006443-01-1]C9H6N4O4
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2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride

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GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
RU-2697705-C1	Method of producing n-(4-chlorobenzyl)pyridin-2-amine	20190506
WO-2020142485-A1	Kinase inhibitor compounds and compositions and methods of use	20181231
CN-113508111-A	Kinase inhibitor compounds and compositions and methods of use	20181231
CN-109046463-A	Bidentate azepine Cabbeen Mn catalyst and preparation method thereof and alkylation synthesis application	20180816
CN-109046463-B	Bidentate aza-carbene-manganese catalyst, preparation method and alkylation synthesis application thereof	20180816

PMID	Publication Date	Title	Journal
21522871	20110115	Bis[2-(benzyl-amino)-pyridine-κN]bis-(2-formyl-phenolato-κO,O')nickel(II)	Acta crystallographica. Section E, Structure reports online
21589385	20101106	N-Benzyl-pyridin-2-amine	Acta crystallographica. Section E, Structure reports online
21589386	20101106	N-Benzyl-pyridin-2-amine	Acta crystallographica. Section E, Structure reports online
21577724	20090909	Bis[2-(benzyl-amino)pyridine-κN](2-formyl-6-methoxy-phenolato-κO,O)(nitrato-κO,O')nickel(II)	Acta crystallographica. Section E, Structure reports online
15066202	20040405	Effects of 'second-hand' smoke on structure and function of fibroblasts, cells that are critical for tissue repair and remodeling	BMC cell biology

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.100048391
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.100048391
Rotatable Bond Count:	3
Topological Polar Surface Area:	24.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7