2-Methylcyclopropanamine - CAS 68979-89-5

Catalog:	BB033665
Product Name:	2-Methylcyclopropanamine
CAS:	68979-89-5
Synonyms:	2-methyl-1-cyclopropanamine; 2-methylcyclopropan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methylcyclopropan-1-amine
Description:	2-Methylcyclopropanamine (CAS# 68979-89-5) is a useful research chemical.
Molecular Weight:	71.12
Molecular Formula:	C4H9N
Canonical SMILES:	CC1CC1N
InChI:	InChI=1S/C4H9N/c1-3-2-4(3)5/h3-4H,2,5H2,1H3
InChI Key:	PYTANBUURZFYHD-UHFFFAOYSA-N
LogP:	1.05380

Publication Number	Title	Priority Date
WO-2020239656-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of hepatitis b	20190529
WO-2020198053-A1	2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases	20190322
WO-2020118238-A1	Quaternary ammonium salts as inhibitors of trimethylamine production	20181206
CN-113383391-A	Quaternary ammonium salts as trimethylamine production inhibitors	20181206
EP-3891751-A1	Quaternary ammonium salts as inhibitors of trimethylamine production	20181206

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	71.073499291
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	71.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3