Methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate - CAS 350997-14-7
Catalog: |
BB046886 |
Product Name: |
Methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate |
CAS: |
350997-14-7 |
Synonyms: |
2-Amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid methyl ester; methyl 2-amino-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate |
IUPAC Name: | methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate |
Description: | Methyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate (CAS# 350997-14-7 ) is a useful research chemical. |
Molecular Weight: | 293.34 |
Molecular Formula: | C14H15NO4S |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)N)OC |
InChI: | InChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3 |
InChI Key: | ZUSQWNRHCGOMKZ-UHFFFAOYSA-N |
Boiling Point: | 425.9 °C at 760 mmHg |
Purity: | ≥ 97 % |
Density: | 1.262 g/cm3 |
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: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.07217913 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 99 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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