Methyl 4-amino-3-methylbenzoate
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Basic information
- CAS
18595-14-7- Standard SMILES
COC(=O)c1ccc(N)c(C)c1- InChIKey
ZHIPSMIKSRYZFV-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Methyl 4-amino-3-methylbenzoate
- IUPAC
- methyl 4-amino-3-methylbenzoate
- English name
- Methyl 4-amino-3-methylbenzoate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Methyl 4-amino-3-methylbenzoate18595-14-7DTXSID70371613RefChem:157583DTXCID903226474-amino-3-methylbenzoic acid methyl esterMethyl 4-Amino-3-Methyl-Benzoate4-amino-3-toluic acid methyl esterMFCD00102230Benzoic acid, 4-amino-3-methyl-, methyl estermethyl 3-methyl-4-aminobenzoatemethyl 4-amino-3-methylbenzenecarboxylate
Show more names
AKOS BB-3094benzenecarboxyL4-Amino-3-methylBUTTPARK 37\12-51Methyl 4-amino-3-metmethyl-4-amino-3-methylbenzateMethyl 4-Amion-3-Methylbenzoate
4-amino-m-toluic acid methyl esterAKOS000113643CS-W002375HY-W002375SB76034methyl4-amino-3-methylbenzoate4-Amino-3-methyl-benzoic Acid Methyl Ester; 4-Amino-m-toluic Acid Methyl Ester; (4-(Methoxycarbonyl)-2-methylphenyl)amine; 4-Amino-3-methylbenzoic Acid Methyl Ester; Methyl 3-Methyl-4-aminobenzoate; Methyl 4-Amino-3-methylbenzoateMethyl 4-Amino-m-toluate
Database identifiers
- CAS
18595-14-7- PubChem CID
- 2736799
- DTXSID
DTXSID70371613- UNII
- 33QH544GRX
- EC Number
- 606-066-2
- Nikkaji
- J82.775D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 314.8 · 314.8±22.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 2.32 · 2.32±0.10(Predicted)
- color
- Light Beige
- CAS DataBase Reference
- 18595 · 18595-14-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-37/38-36-22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- hs_code
- 2922498590
- risk_code
- 36/37/38-37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesMethyl 4-Amino-3-methylbenzoate is used in the synthesis of neuroprotective hydrazides used in the treatment of Alzheimer’s. It is also used in the research and development of diphenylamine-based retinoids.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
66 records
Compound notes
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