2-(Boc-amino)-4,6-dimethylpyridine - CAS 848472-36-6

Catalog:	BB037334
Product Name:	2-(Boc-amino)-4,6-dimethylpyridine
CAS:	848472-36-6
Synonyms:	tert-butyl N-(4,6-dimethylpyridin-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4,6-dimethylpyridin-2-yl)carbamate
Description:	2-(Boc-amino)-4,6-dimethylpyridine (CAS# 848472-36-6 ) is a useful research chemical.
Molecular Weight:	222.28
Molecular Formula:	C12H18N2O2
Canonical SMILES:	CC1=CC(=NC(=C1)NC(=O)OC(C)(C)C)C
InChI:	InChI=1S/C12H18N2O2/c1-8-6-9(2)13-10(7-8)14-11(15)16-12(3,4)5/h6-7H,1-5H3,(H,13,14,15)
InChI Key:	VTOQKBTVQSCALH-UHFFFAOYSA-N
MDL:	MFCD11976394
LogP:	3.05900

Publication Number	Title	Priority Date
WO-2019238629-A1	Pyridinyl heterocyclyl compounds for the treatment of autoimmune disease	20180613
CN-110022875-A	Therapeutic inhibiting compound	20160711
EP-3215497-A2	Mammalian and bacterial nitric oxide synthase inhibitors	20141104
US-2016122302-A1	Mammalian and Bacterial Nitric Oxide Synthase Inhibitors	20141104
US-2017275278-A1	Mammalian and Bacterial Nitric Oxide Synthase Inhibitors	20141104

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.136827821
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5