N-Boc-tyramine - CAS 64318-28-1

Catalog:	BB032434
Product Name:	N-Boc-tyramine
CAS:	64318-28-1
Synonyms:	tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
Description:	Intermediate in the preparation of Thyroxin derivatives.
Molecular Weight:	237.29
Molecular Formula:	C13H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
InChI:	InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-8-10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChI Key:	ILNOTKMMDBWGOK-UHFFFAOYSA-N
Boiling Point:	395.7 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD05864730
LogP:	2.85030

Publication Number	Title	Priority Date
CN-111995622-A	Compound and use thereof	20200820
WO-2021171984-A1	Organic el display device, production method for cured product, and production method for organic el display device	20200225
WO-2021060395-A1	Sustained-release pharmaceutical composition	20190925
WO-2020008013-A1	Amino-pyrimidonyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20180705
EP-3818054-A1	Amino-pyrimidonyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20180705

PMID	Publication Date	Title	Journal
15560474	20041105	Construction and application of a stoichiometric displacement model for retention in chiral recognition of molecular imprinting	Journal of chromatography. A

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Related Functional Groups

Nitrogen Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.13649347
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	237.13649347
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5