N-Boc-3-(2-bromoethyl)piperidine - CAS 210564-54-8

Catalog:	BB016570
Product Name:	N-Boc-3-(2-bromoethyl)piperidine
CAS:	210564-54-8
Synonyms:	3-(2-bromoethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate
Description:	N-Boc-3-(2-bromoethyl)piperidine (CAS# 210564-54-8) is a useful research chemical.
Molecular Weight:	292.21
Molecular Formula:	C12H22BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CCBr
InChI:	InChI=1S/C12H22BrNO2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-9H2,1-3H3
InChI Key:	SRWFLHHXMSGSSU-UHFFFAOYSA-N
MDL:	MFCD06410599
LogP:	3.35640

Publication Number	Title	Priority Date
TW-201941775-A	GCN2 inhibitor and its use	20180129
US-2019233425-A1	Gcn2 inhibitors and uses thereof	20180129
WO-2019148132-A1	Gcn2 inhibitors and uses thereof	20180129
AU-2019211485-A1	GCN2 inhibitors and uses thereof	20180129
CN-111918651-A	GCN2 inhibitors and uses thereof	20180129

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GHS Hazard Statement:	H302 (50%): 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

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.08339
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.08339
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3