Ethyl 3-aminocrotonate - CAS 626-34-6
Catalog: |
BB031703 |
Product Name: |
Ethyl 3-aminocrotonate |
CAS: |
626-34-6 |
Synonyms: |
ethyl (Z)-3-aminobut-2-enoate |
IUPAC Name: | ethyl (Z)-3-aminobut-2-enoate |
Description: | Ethyl 3-aminocrotonate (CAS# 626-34-6) is a derivative of Prednisone (P703780), a glucocorticoid hormone that is used to treat patients with asthma, and to improve renal function in human immunodeficiency virus-associated nephropathy. |
Molecular Weight: | 129.16 |
Molecular Formula: | C6H11NO2 |
Canonical SMILES: | CCOC(=O)C=C(C)N |
InChI: | InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4- |
InChI Key: | YPMPTULBFPFSEQ-PLNGDYQASA-N |
Boiling Point: | 210-215 °C |
Purity: | 98 % |
Density: | 1.022 g/cm3 |
MDL: | MFCD02730138 |
LogP: | 1.11230 |
GHS Hazard Statement: | H314 (92.86%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 129.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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