Methylguanidine hydrochloride - CAS 21770-81-0

Name: Methylguanidine hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017140
Product Name:	Methylguanidine hydrochloride
CAS:	21770-81-0
Synonyms:	2-methylguanidine;hydrochloride

Technical Data

IUPAC Name:	2-methylguanidine;hydrochloride
Description:	Methylguanidine hydrochloride (CAS# 21770-81-0) is an alkylated guanidine which shows inhibitory action against trypsin catalysis. N-Methylguanidine inhibited metabolism of certain hepatic drugs that was mediated by cytochrome P 450 protein in human liver microsome and hepatocyte.
Molecular Weight:	109.56
Molecular Formula:	C2H8ClN3
Canonical SMILES:	CN=C(N)N.Cl
InChI:	InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
InChI Key:	VJQCNCOGZPSOQZ-UHFFFAOYSA-N
Boiling Point:	95.9 °C at 760 mmHg
Purity:	95 %
Density:	1.22 g/mL at 20 °C(lit.)
Appearance:	Crystalline
LogP:	1.09220

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

Publication Number	Title	Priority Date
US-2014371283-A1	Hydantoins that modulate bace-mediated app processing	20130212
US-2016009658-A1	Hydantoins that modulate bace-mediated app processing	20130212
US-2016159746-A1	Hydantoins that modulate bace-mediated app processing	20130212
US-2015299192-A1	Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors	20121107
US-2015119392-A1	Raf inhibitor compounds	20120307

Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.0406750
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	109.0406750
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0