Ethyl 2-Amidinoacetate Hydrochloride - CAS 57508-48-2
Catalog: |
BB029728 |
Product Name: |
Ethyl 2-Amidinoacetate Hydrochloride |
CAS: |
57508-48-2 |
Synonyms: |
3-amino-3-iminopropanoic acid ethyl ester;hydrochloride; ethyl 3-amino-3-iminopropanoate;hydrochloride |
IUPAC Name: | ethyl 3-amino-3-iminopropanoate;hydrochloride |
Description: | Ethyl 2-Amidinoacetate Hydrochloride (CAS# 57508-48-2) is a useful research chemical. |
Molecular Weight: | 166.61 |
Molecular Formula: | C5H11ClN2O2 |
Canonical SMILES: | CCOC(=O)CC(=N)N.Cl |
InChI: | InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H3,6,7);1H |
InChI Key: | VOHFLYOSVGWQOS-UHFFFAOYSA-N |
Boiling Point: | 237.9 °C at 760 mmHg |
Appearance: | Solid |
MDL: | MFCD06797615 |
LogP: | 1.47760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110627701-A | Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester | 20191125 |
CN-110627701-B | Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester | 20191125 |
WO-2021103257-A1 | Continuous preparation method for 2-amino-pyrrole-3-carboxylate | 20191125 |
US-2020123170-A1 | Compositions and methods for inhibiting viral infection | 20181022 |
WO-2020086562-A1 | Compositions and methods for inhibiting viral infection | 20181022 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0509053 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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