2-(Boc-amino)-4-(aminomethyl)pyridine - CAS 639091-78-4

Catalog:	BB032318
Product Name:	2-(Boc-amino)-4-(aminomethyl)pyridine
CAS:	639091-78-4
Synonyms:	N-[4-(aminomethyl)-2-pyridinyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(aminomethyl)pyridin-2-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[4-(aminomethyl)pyridin-2-yl]carbamate
Description:	2-(Boc-amino)-4-(aminomethyl)pyridine (CAS# 639091-78-4) is a useful research chemical compound.
Molecular Weight:	223.27
Molecular Formula:	C11H17N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1)CN
InChI:	InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,7,12H2,1-3H3,(H,13,14,15)
InChI Key:	MTLPTFRZCYSDNT-UHFFFAOYSA-N
Boiling Point:	321.9 °C at 760 mmHg
Density:	1.164 g/cm³
MDL:	MFCD06213871
LogP:	2.66060

Publication Number	Title	Priority Date
WO-2008130569-A1	Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors	20070420
WO-2008130570-A1	Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors	20070420
EP-1957507-B1	Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents	20051202
US-2008293649-A1	Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents	20051202
US-2011166334-A1	Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents	20051202

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.132076794
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.132076794
Rotatable Bond Count:	4
Topological Polar Surface Area:	77.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6