2-Methoxycyclopropan-1-amine Hydrochloride - CAS 1046469-17-3

Catalog:	BB060362
Product Name:	2-Methoxycyclopropan-1-amine Hydrochloride
CAS:	1046469-17-3
Synonyms:	2-Methoxycyclopropanamine Hydrochloride

Technical Data

IUPAC Name:	2-methoxycyclopropan-1-aminehydrochloride
Description:	2-Methoxycyclopropan-1-amine Hydrochloride can be useful in the preparation of pyridinone dicarboxamide derivatives for use as bromodomain inhibitors. It may also be useful in the preparation of macrocyclic bis-2,2'-azaindole derivatives as inhibitors of peptidylarginine deiminases and preparation of enantiopure tricyclic benzimidazoles for inhibition of gastric acid secretion.
Molecular Weight:	87.12 + 36.46
Molecular Formula:	C4H9NO·HCl
Canonical SMILES:	COC1CC1N.Cl
InChI:	InChI=1S/C4H9NO.ClH/c1-6-4-2-3(4)5/h3-4H,2,5H2,1H31H
InChI Key:	XLWRVSLZASDSJT-UHFFFAOYSA-N
References:	Atkinson, S., et al. PCT Int. Appl., 308pp. (2017); Canales, E. Y., et al. PCT Int. Appl., 1052pp. (2021); Palmer, A., et al. PCT Int. Appl., 115pp. (2008).

Complexity:	55.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0450916
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0