Ethyl 2-amino-5-ethylthiophene-3-carboxylate - CAS 4507-13-5
Catalog: |
BB046883 |
Product Name: |
Ethyl 2-amino-5-ethylthiophene-3-carboxylate |
CAS: |
4507-13-5 |
Synonyms: |
Ethyl 2-amino-5-ethyl-3-thenoate; Ethyl 2-amino-5-ethyl-3-thiophenecarboxylate; 2-Amino-5-ethyl-thiophene-3-carboxylic acid ethyl ester; 3-Thiophenecarboxylic acid, 2-amino-5-ethyl-, ethyl ester; NSC 159633 |
IUPAC Name: | ethyl 2-amino-5-ethylthiophene-3-carboxylate |
Description: | Ethyl 2-amino-5-ethylthiophene-3-carboxylate (CAS# 4507-13-5 ) is a useful research chemical. |
Molecular Weight: | 199.27 |
Molecular Formula: | C9H13NO2S |
Canonical SMILES: | CCC1=CC(=C(S1)N)C(=O)OCC |
InChI: | InChI=1S/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3 |
InChI Key: | WJZCEFNVWQJNQI-UHFFFAOYSA-N |
Boiling Point: | 312.7±42.0 °C at 760 mmHg |
Melting Point: | 73 °C |
Purity: | 95 % |
Density: | 1.183±0.1 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: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06669983 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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