1-Phenylcyclopropylamine - CAS 41049-53-0

Catalog:	BB024764
Product Name:	1-Phenylcyclopropylamine
CAS:	41049-53-0
Synonyms:	1-phenyl-1-cyclopropanamine; 1-phenylcyclopropan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	1-phenylcyclopropan-1-amine
Description:	1-Phenylcyclopropylamine (CAS# 41049-53-0) is a useful research chemical.
Molecular Weight:	133.19
Molecular Formula:	C9H11N
Canonical SMILES:	C1CC1(C2=CC=CC=C2)N
InChI:	InChI=1S/C9H11N/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChI Key:	OYRBDGKUVUVWRI-UHFFFAOYSA-N
Boiling Point:	211.4 °C at 760 mmHg
Density:	1.079 g/cm³
Appearance:	Liquid
MDL:	MFCD05863520
LogP:	2.33470

Publication Number	Title	Priority Date
CN-113292510-A	Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof	20210607
WO-2021164746-A1	Substituted aryl compound	20200219
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
WO-2021067859-A1	5-fluoronicotinamide derivatives and uses thereof	20191003

PMID	Publication Date	Title	Journal
15848762	20050516	Mutation of surface cysteine 374 to alanine in monoamine oxidase A alters substrate turnover and inactivation by cyclopropylamines	Bioorganic & medicinal chemistry
15755651	20050401	Fluorinated phenylcyclopropylamines. Part 4: effects of aryl substituents and stereochemistry on the inhibition of monoamine oxidases by 1-aryl-2-fluoro-cyclopropylamines	Bioorganic & medicinal chemistry
15110846	20040515	Fluorinated phenylcyclopropylamines. Part 3: Inhibition of monoamine oxidase A and B	Bioorganic & medicinal chemistry
11456490	20010724	Inactivation of C30A trimethylamine dehydrogenase by N-cyclopropyl-alpha-methylbenzylamine, 1-phenylcyclopropylamine, and phenylhydrazine	Biochemistry
11425554	20010709	Inactivation of monoamine oxidase B by 1-phenylcyclopropylamine: mass spectral evidence for the flavin adduct	Bioorganic & medicinal chemistry letters

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Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.089149355
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.089149355
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1