1-Phenylcyclopropanecarbonitrile - CAS 935-44-4

Catalog:	BB040962
Product Name:	1-Phenylcyclopropanecarbonitrile
CAS:	935-44-4
Synonyms:	1-phenyl-1-cyclopropanecarbonitrile; 1-phenylcyclopropane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-phenylcyclopropane-1-carbonitrile
Description:	1-Phenylcyclopropanecarbonitrile (CAS# 935-44-4) is a useful research chemical.
Molecular Weight:	143.19
Molecular Formula:	C10H9N
Canonical SMILES:	C1CC1(C#N)C2=CC=CC=C2
InChI:	InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key:	ZHFURHRJUWYDKG-UHFFFAOYSA-N
Boiling Point:	238.5 °C at 760 mmHg
Density:	1.09 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00001270
LogP:	2.24178

Publication Number	Title	Priority Date
EP-3811945-A1	Compounds for treating and preventing growth hormone receptor-dependent conditions	20191025
WO-2021078995-A1	Selective polypeptide synthesis stalling assay and compound	20191025
WO-2020233512-A1	Aromatic amine ar and bet targeting protein degradation chimera compound and use	20190517
WO-2020159285-A1	Imidazopyridine derivative compounds and use of same	20190201
US-10253004-B2	Indanylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof	20170126

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.073499291
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9