Methyl 5-amino-2-methoxybenzoate - CAS 22802-67-1
Catalog: |
BB076925 |
Product Name: |
Methyl 5-amino-2-methoxybenzoate |
CAS: |
22802-67-1 |
Synonyms: |
Methyl 5-amino-o-anisate; 5-Amino-2-methoxy-benzoic acid methyl ester; Benzoic acid, 5-amino-2-methoxy-, methyl ester; Methyl 2-methoxy-5-aminobenzoate; 2-Methoxy-5-aminobenzoic acid methyl ester |
IUPAC Name: | methyl 5-amino-2-methoxybenzoate |
Molecular Weight: | 181.18 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)N)C(=O)OC |
InChI: | InChI=1S/C9H11NO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,10H2,1-2H3 |
InChI Key: | PSCXCIPPRCFAAO-UHFFFAOYSA-N |
Boiling Point: | 329.6±22.0°C (Predicted) |
Purity: | 95% |
Density: | 1.179±0.06 g/cm3 (Predicted) |
Storage: | Store at 2-8°C, protect from light |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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