Home > Compound List > Compound details
18595-16-9 molecular structure
click picture or here to close

methyl 2-amino-5-methylbenzoate

ChemBase ID: 173274
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
c1(ccc(c(c1)C(=O)OC)N)C
Canonical SMILES:
COC(=O)c1cc(C)ccc1N
InChI:
InChI=1S/C9H11NO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,10H2,1-2H3
InChIKey:
MDHYFUPTSWXVIA-UHFFFAOYSA-N

Cite this record

CBID:173274 http://www.chembase.cn/molecule-173274.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-amino-5-methylbenzoate
IUPAC Traditional name
methyl 2-amino-5-methylbenzoate
Synonyms
2-Amino-benzoic Acid Methyl Ester
Anthranilic Acid Methyl Ester
[2-(Methoxycarbonyl)phenyl]amine
o-(Methoxycarbonyl)aniline
Sunarome UVA
Methyl o-Aminobenzoate
NSC 3109
Methyl 2-Amino-5-methylbenzoate
CAS Number
18595-16-9
MDL Number
MFCD00661547
PubChem SID
164229184
PubChem CID
1201104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1201104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3107705  LogD (pH = 7.4) 2.3112125 
Log P 2.3112183  Molar Refractivity 47.8249 cm3
Polarizability 17.653896 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
54-56°C expand Show data source
58 - 60°C expand Show data source
Hydrophobicity(logP)
2.623 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M286885 external link
A useful synthetic intermediate.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle