1-Boc-3-bromomethylpiperidine - CAS 193629-39-9

Catalog:	BB014998
Product Name:	1-Boc-3-bromomethylpiperidine
CAS:	193629-39-9
Synonyms:	3-(bromomethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(bromomethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(bromomethyl)piperidine-1-carboxylate
Description:	1-Boc-3-bromomethylpiperidine (CAS# 193629-39-9) is a useful research chemical.
Molecular Weight:	278.19
Molecular Formula:	C11H20BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CBr
InChI:	InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChI Key:	MGGZYACWICDRRD-UHFFFAOYSA-N
Boiling Point:	318.3 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	2.96630

Publication Number	Title	Priority Date
WO-2021083209-A1	Ssao inhibitors and use thereof	20191029
WO-2020160711-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
TW-202045508-A	Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist	20190207
WO-2019178191-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glycopyranosidase inhibitors	20180314
AU-2019234759-A1	O-glycoprotein-2-acetamido-2-deoxy-3-D-glycopyranosidase inhibitors	20180314

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Related Functional Groups

Piperidines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.06774
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.06774
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6