N2-Boc-pyridine-2,5-diamine - CAS 220731-04-4

Catalog:	BB017342
Product Name:	N2-Boc-pyridine-2,5-diamine
CAS:	220731-04-4
Synonyms:	N-(5-amino-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(5-aminopyridin-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(5-aminopyridin-2-yl)carbamate
Description:	N2-Boc-pyridine-2,5-diamine (CAS# 220731-04-4) is a useful research chemical.
Molecular Weight:	209.25
Molecular Formula:	C10H15N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=C(C=C1)N
InChI:	InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,11H2,1-3H3,(H,12,13,14)
InChI Key:	NHVPESPHUUFULF-UHFFFAOYSA-N
Boiling Point:	330.167 °C at 760 mmHg
Density:	1.203 g/cm³
LogP:	2.66500

Publication Number	Title	Priority Date
CA-3028727-A1	Ck2 inhibitors, compositions and methods thereof	20160624
EP-3474855-A1	Ck2 inhibitors, compositions and methods thereof	20160624
US-10227344-B2	CK2 inhibitors, compositions and methods thereof	20160624
US-2017369489-A1	Ck2 inhibitors, compositions and methods thereof	20160624
WO-2017223432-A1	Ck2 inhibitors, compositions and methods thereof	20160624

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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+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:	209.116426730
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	209.116426730
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1