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2475-80-1 molecular structure
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methyl 2-amino-5-methoxybenzoate

ChemBase ID: 67839
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
C(=O)(c1c(ccc(c1)OC)N)OC
Canonical SMILES:
COc1ccc(c(c1)C(=O)OC)N
InChI:
InChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChIKey:
MOVBJUGHBJJKOW-UHFFFAOYSA-N

Cite this record

CBID:67839 http://www.chembase.cn/molecule-67839.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-amino-5-methoxybenzoate
IUPAC Traditional name
methyl 2-amino-5-methoxybenzoate
Synonyms
Methyl 2-amino-5-methoxybenzoate
2-Amino-5-methoxybenzoic acid methyl ester
Methyl 2-amino-5-methoxybenzoate
2-氨基-5-甲氧基苯甲酸甲酯
CAS Number
2475-80-1
MDL Number
MFCD09038482
PubChem SID
162033574
PubChem CID
13052275

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.639298  LogD (pH = 7.4) 1.6401151 
Log P 1.6401255  Molar Refractivity 49.2469 cm3
Polarizability 18.429081 Å3 Polar Surface Area 61.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
32-33°C expand Show data source
Hydrophobicity(logP)
2.179 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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