tert-Butyl (4-methylpyridin-2-yl)carbamate - CAS 90101-20-5

Name: tert-Butyl (4-methylpyridin-2-yl)carbamate
Brand: BOC Sciences
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Catalog:	BB039763
Product Name:	tert-Butyl (4-methylpyridin-2-yl)carbamate
CAS:	90101-20-5
Synonyms:	tert-butyl N-(4-methylpyridin-2-yl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(4-methylpyridin-2-yl)carbamate
Description:	tert-Butyl (4-methylpyridin-2-yl)carbamate (CAS# 90101-20-5) is a useful research chemical.
Molecular Weight:	208.26
Molecular Formula:	C11H16N2O2
Canonical SMILES:	CC1=CC(=NC=C1)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
InChI Key:	SABMAMDNSRZJBK-UHFFFAOYSA-N
Boiling Point:	274.2 °C at 760 mmHg
Density:	1.108 g/cm³
LogP:	2.81000

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Related Functional Groups

Pyridines

[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride

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

Publication Number	Title	Priority Date
WO-2021086995-A1	Rnai agents for inhibiting expression of beta-enac, compositions thereof, and methods of use	20191029
CN-111620867-A	Mesoionic insecticides	20190228
US-2021069337-A1	Integrin targeting ligands and uses thereof	20180427
AU-2018359515-A1	Integrin ligands and uses thereof	20171101
WO-2019089765-A1	Integrin ligands and uses thereof	20171101

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.121177757
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.121177757
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1