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(5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester

(5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester - CAS 375853-79-5

Name: (5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023346
Product Name:	(5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester
CAS:	375853-79-5
Synonyms:	tert-butyl N-(5-iodopyridin-2-yl)carbamate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl N-(5-iodopyridin-2-yl)carbamate
Description:	(5-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester (CAS# 375853-79-5) is a useful research chemical.
Molecular Weight:	320.13
Molecular Formula:	C10H13IN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=C(C=C1)I
InChI:	InChI=1S/C10H13IN2O2/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:	YZLXIVKPYUFJPN-UHFFFAOYSA-N
Boiling Point:	316.1 °C at 760 mmHg
Density:	1.652 g/cm³
Appearance:	Powder
MDL:	MFCD03791267
LogP:	3.10620

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2015101580-A4	Novel compound for imaging tau protein accumulated in the brain	20121221
CA-2894994-A1	Compounds for imaging tau proteins that accumulate in brain	20121221
CA-2894994-C	Compounds for imaging tau proteins that accumulate in brain	20121221
EP-2767532-A1	Novel compound for imaging tau protein accumulated in the brain	20121221
EP-2767532-B1	Novel compound for imaging tau protein accumulated in the brain	20121221

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.00218
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	320.00218
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4