N-Boc-3,4-dihydro-2H-pyridine - CAS 131667-57-7

Catalog:	BB007466
Product Name:	N-Boc-3,4-dihydro-2H-pyridine
CAS:	131667-57-7
Synonyms:	tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate

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IUPAC Name:	tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate
Description:	N-Boc-3,4-dihydro-2H-pyridine (CAS# 131667-57-7) is a useful research chemical.
Molecular Weight:	183.25
Molecular Formula:	C10H17NO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC=C1
InChI:	InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
InChI Key:	VIBQTJLMJANION-UHFFFAOYSA-N
Boiling Point:	254 °C
Purity:	> 98 %
Density:	1.029 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.46890

Publication Number	Title	Priority Date
BR-112020026450-A2	COMPOUNDS OF FORMULA I	20180629
BR-112019025740-A2	COMPOUNDS TO TREAT HUNTINGTON'S DISEASE	20170605
BR-112019015314-A2	compounds to inhibit lrrk2 kinase activity	20170125
JP-2019534252-A	Tetrahydropyridine derivatives and their use as antibacterial agents	20160928
CN-110325533-A	The inhibitor of MENIN-MLL interaction	20160916

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501
Signal Word:	Danger

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.125928785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.125928785
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9