3-Methoxy-4-methylaniline - CAS 16452-01-0

Catalog:	BB012115
Product Name:	3-Methoxy-4-methylaniline
CAS:	16452-01-0
Synonyms:	3-methoxy-4-methylaniline

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-methoxy-4-methylaniline
Description:	3-Methoxy-4-methylaniline (CAS# 16452-01-0) is a useful research chemical.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CC1=C(C=C(C=C1)N)OC
InChI:	InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3
InChI Key:	ONADZNBSLRAJFW-UHFFFAOYSA-N
Boiling Point:	251 ℃ at 760 mmHg
Melting Point:	56-60 ℃
Flash Point:	greater than 235 °F
Purity:	98 %
Density:	1.039 g/cm³
Solubility:	Insoluble in water
Appearance:	Brown chunky solid.
MDL:	MFCD00025371
LogP:	2.16700

Publication Number	Title	Priority Date
WO-2021072167-A1	Compositions and methods for in vivo synthesis of unnatural polypeptides	20191010
WO-2021050721-A1	Quinoline derivatives and uses in managing cancer	20190910
WO-2019166639-A1	Substituted benzodiazoles and use thereof in therapy	20180301
CN-112074511-A	Substituted benzodiazoles and their use in therapy	20180301
EP-3759091-A1	Substituted benzodiazoles and use thereof in therapy	20180301

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Related Functional Groups

Amines and Anilines

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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, 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:	2.1