Ethyl 3,4-Diaminobenzoate - CAS 37466-90-3
Catalog: |
BB023297 |
Product Name: |
Ethyl 3,4-Diaminobenzoate |
CAS: |
37466-90-3 |
Synonyms: |
3,4-diaminobenzoic acid ethyl ester; ethyl 3,4-diaminobenzoate |
IUPAC Name: | ethyl 3,4-diaminobenzoate |
Description: | Ethyl 3,4-Diaminobenzoate (CAS# 37466-90-3) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)N)N |
InChI: | InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3 |
InChI Key: | NUJBTXFFJUGENN-UHFFFAOYSA-N |
Boiling Point: | 382.7 ℃ at 760 mmHg |
Density: | 1.214 g/cm3 |
MDL: | MFCD00179337 |
LogP: | 2.19010 |
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-110372614-B | Tetrahydroquinoxaline compound, preparation method and application thereof | 20190703 |
WO-2020233676-A1 | Amide-substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenases | 20190522 |
WO-2020233677-A1 | Process for preparing amide-substituted imidazo compounds | 20190522 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020171072-A1 | Battery material | 20190221 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.089877630 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Amines and Anilines
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