Name: 3-METHOXY-4-METHYLANILINE
SKU: 16452-01-0

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Basic Information

Molecular Structure:
CAS No.:	16452-01-0
Name:	3-METHOXY-4-METHYLANILINE
Article Data:	20

Formula:	C₈H₁₁NO
Molecular Weight:	137.181
Synonyms:	m-Anisidine,4-methyl- (5CI);(3-Methoxy-4-methylphenyl)amine;2-Methoxy-4-aminotoluene;3-Methoxy-4-methylaniline;3-Methoxy-4-methylbenzenamine;3-Methoxy-p-toluidine;4-Amino-2-methoxytoluene;4-Methyl-3-methoxyaniline;5-Amino-2-methylanisole;
EINECS:	240-500-8
Density:	1.039 g/cm³
Melting Point:	56-60 °C
Boiling Point:	251 °C at 760mmHg
Flash Point:	109.6 °C
Solubility:	Insoluble in water
Appearance:	Brown chunky solid
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	35.25000
LogP:	2.16700

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Specification

The 3-Methoxy-4-methylaniline, with the CAS registry number 16452-01-0, is also known as 3-Methoxy-4-methylphenylamine. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Anilines, Amides & Amines; Anisoles, Alkyloxy Compounds & Phenylacetates. Its EINECS registry number is 240-500-8. This chemical's molecular formula is C₈H₁₁NO and molecular weight is 137.18. Its IUPAC name is called 3-methoxy-4-methylaniline. This chemical's classification code is Mutation data. In additon, it is brown chunky solid.

Physical properties of 3-Methoxy-4-methylaniline: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.03; (6)ACD/BCF (pH 7.4): 5.67; (7)ACD/KOC (pH 5.5): 106.94; (8)ACD/KOC (pH 7.4): 120.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 41.99 cm³; (14)Molar Volume: 131.9 cm³; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.039 g/cm³; (17)Flash Point: 109.6 °C; (18)Enthalpy of Vaporization: 48.83 kJ/mol; (19)Boiling Point: 251 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25°C.

Uses of 3-Methoxy-4-methylaniline: it can be used to produce 8-methoxy-7-methylalloxazine. This reaction will need solvent ethanol, H₂O with reaction time of 2 hours. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)N)OC
(2)InChI: InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
(3)InChIKey: ONADZNBSLRAJFW-UHFFFAOYSA-N