2-(Boc-amino)-5-bromopyridine - CAS 159451-66-8

Name: 2-(Boc-amino)-5-bromopyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011535
Product Name:	2-(Boc-amino)-5-bromopyridine
CAS:	159451-66-8
Synonyms:	tert-butyl N-(5-bromopyridin-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(5-bromopyridin-2-yl)carbamate
Description:	2-(Boc-amino)-5-bromopyridine (CAS# 159451-66-8) is a useful research chemical.
Molecular Weight:	273.13
Molecular Formula:	C10H13BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=C(C=C1)Br
InChI:	InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	CKXAMCSVTNPSCZ-UHFFFAOYSA-N
Boiling Point:	288.2 °C at 760 mmHg
Melting Point:	167-171 °C (lit.)
Purity:	97 %
Density:	1.453 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD06411381
LogP:	3.26410

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.01604
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.01604
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4