Benzocaine EP Impurity B - CAS 5344-90-1

Catalog:	BB028223
Product Name:	Benzocaine EP Impurity B
CAS:	5344-90-1
Synonyms:	2-Aminobenzyl alcohol; o-Aminobenzyl alcohol

Technical Data

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Patents

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Computed Properties

IUPAC Name:	(2-aminophenyl)methanol
Description:	One impurity of Tetracaine and Benzocaine.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	C1=CC=C(C(=C1)CO)N
InChI:	InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
InChI Key:	VYFOAVADNIHPTR-UHFFFAOYSA-N
Boiling Point:	162 ℃ (15 torr)
Melting Point:	81-83 ℃
Purity:	> 95 %
Density:	1.166 g/cm³
Appearance:	White to light yellow and faint beige to beige and faint brown to light brown solid
MDL:	MFCD00007749
LogP:	1.34230

Publication Number	Title	Priority Date
CN-113185555-A	Pincer-shaped manganese complex and preparation method thereof, related ligand and preparation method thereof, catalyst composition and application	20210430
CN-112941549-A	Synthetic method of quinazoline derivative, benzoxazine derivative and benzothiazole derivative	20210226
CN-112774734-A	Copper catalyst for synthesizing quinoline compound and preparation method thereof	20210222
JP-2021063999-A	Colored photosensitive resin composition	20210104
CN-112789326-A	High-temperature energy storage hybrid polyetherimide dielectric film and preparation method and application thereof	20201218

PMID	Publication Date	Title	Journal
22832878	20120725	Synthesis and cytotoxicity testing of new amido-substituted triazolopyrrolo[2,1-c][1,4]benzodiazepine (PBDT) derivatives	Molecules (Basel, Switzerland)
22549932	20120529	Hydrolase-like properties of a cofactor-independent dioxygenase	Chembiochem : a European journal of chemical biology
22590151	20120501	Bis(μ-4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolato)bis-[chlorido(dimethyl sulfoxide)-iron(III)] dimethyl sulfoxide disolvate	Acta crystallographica. Section E, Structure reports online
22402867	20120421	A new cascade reaction: concurrent construction of six and five membered rings leading to novel fused quinazolinones	Organic & biomolecular chemistry
22311639	20120401	InCl3-driven regioselective synthesis of functionalized/annulated quinolines: scope and limitations	Chemistry, an Asian journal

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GHS Hazard Statement:	H302 (36%): 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

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1