2-Methoxy-6-methylaniline - CAS 50868-73-0

Catalog:	BB027239
Product Name:	2-Methoxy-6-methylaniline
CAS:	50868-73-0
Synonyms:	2-methoxy-6-methylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methoxy-6-methylaniline
Description:	2-Methoxy-6-methylaniline2-Methoxy-6-methylaniline was used for preparation and to study and structure activity relationships of aminoarylsulfonylbenzonitriles as reverse transcriptase inhibitors of HIV-1.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CC1=C(C(=CC=C1)OC)N
InChI:	InChI=1S/C8H11NO/c1-6-4-3-5-7(10-2)8(6)9/h3-5H,9H2,1-2H3
InChI Key:	HKOJYPPTIPJZAZ-UHFFFAOYSA-N
Boiling Point:	62 ℃
Melting Point:	26-29 ℃
Purity:	98 %
Density:	1.039 g/cm³
Appearance:	Low mp solid or liquid
MDL:	MFCD00075455
LogP:	2.16700

Publication Number	Title	Priority Date
WO-2021200009-A1	Negative resist composition	20200331
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
US-2021094935-A1	Bicyclic heterocycles as fgfr inhibitors	20191001
WO-2021067374-A1	Bicyclic heterocycles as fgfr inhibitors	20191001
CN-111718332-A	2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof	20190319

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Related Functional Groups

Nitrogen Compounds

[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6