4-Ethynylpyridin-2-amine Hydrochloride - CAS 1686158-90-6

Catalog:	BB066314
Product Name:	4-Ethynylpyridin-2-amine Hydrochloride
CAS:	1686158-90-6
Synonyms:	; 4-Ethynyl-2-pyridinamine Hydrochloride

Technical Data

IUPAC Name:	4-ethynylpyridin-2-aminehydrochloride
Description:	4-Ethynylpyridin-2-amine Hydrochloride is a derivative of 4-Ethynylpyridin-2-amine (1094679-27-2 #CAS), which is used in the preparation methanopyridodiazepine analogs as SIRT1 modulators. It is also used as probes for detecting change in pH environment in living body.
Molecular Weight:	118.14 + 36.46
Molecular Formula:	C7H6N2·HCl
Canonical SMILES:	C#CC1=CC(=NC=C1)N.Cl
InChI:	InChI=1S/C7H6N2.ClH/c1-2-6-3-4-9-7(8)5-6/h1,3-5H,(H2,8,9)1H
InChI Key:	QKNJOYHTNURYDO-UHFFFAOYSA-N
References:	Ellis, J.L,. et al. PCT Int. Appl. 698 (2016); Saito, Y., et.al. Jpn. Kokai Tokkyo Koho. 22 (2015).

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0297759
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.0297759
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0