Methyl 3,4,5-trimethoxyanthranilate - CAS 5035-82-5

Catalog:	BB027026
Product Name:	Methyl 3,4,5-trimethoxyanthranilate
CAS:	5035-82-5
Synonyms:	methyl 2-amino-3,4,5-trimethoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-3,4,5-trimethoxybenzoate
Description:	Methyl 2-Amino-3,4,5-trimethoxybenzoate could be a constituent contributing to the aroma of green tea leaves.
Molecular Weight:	241.24
Molecular Formula:	C11H15NO5
Canonical SMILES:	COC1=C(C(=C(C(=C1)C(=O)OC)N)OC)OC
InChI:	InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3
InChI Key:	UPVUQELOASQBMY-UHFFFAOYSA-N
Boiling Point:	127-140 °C0.1 mmHg (lit.) 382.1 °C at 760 mmHg
Melting Point:	44-45 °C (lit.)
Purity:	95 %
Density:	1.196 g/cm³
Appearance:	Solid
MDL:	MFCD00008426
LogP:	1.66240

Publication Number	Title	Priority Date
WO-2008069611-A1	N-phenylamide derivative, process for the preparation thereof, and composition for preventing or treating ischemic diseases comprising same	20061208
CA-2592455-A1	Substituted 2-amino-quinazolin-4-cn compounds for use in the treatment of cns disorders, pain, stroke, addiction and epilepsy, their preaparation and use as intermediates	20050107
CN-101142195-A	Substituted 2-amino-quinazolin-4-on compoundsfor use in the treatment of C N S disorders, pain, stroke, addicition and epilepsy, their preparation and use as intermediates	20050107
EP-1841746-A1	Substituted 2-amino-quinazolin-4-on compoundsfor use in the treatment of cns disorders, pain, stroke, addicition and epilepsy, their preparation and use as intermediates	20050107
JP-2008526803-A	Substituted 2-amino-quinazoline 4-CN compounds for use in the treatment of CNS disorders, pain, seizures, addiction and epilepsy, their preparation, and their use as intermediate products	20050107

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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:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.09502258
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.09502258
Rotatable Bond Count:	5
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6