Dimethyl 4-Aminophthalate - CAS 51832-31-6
Catalog: |
BB027622 |
Product Name: |
Dimethyl 4-Aminophthalate |
CAS: |
51832-31-6 |
Synonyms: |
4-aminobenzene-1,2-dicarboxylic acid dimethyl ester; dimethyl 4-aminobenzene-1,2-dicarboxylate |
IUPAC Name: | dimethyl 4-aminobenzene-1,2-dicarboxylate |
Description: | Dimethyl 4-Aminophthalate (CAS# 51832-31-6) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)N)C(=O)OC |
InChI: | InChI=1S/C10H11NO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,11H2,1-2H3 |
InChI Key: | NTBHQNDXAJXRPU-UHFFFAOYSA-N |
Boiling Point: | 347.8 °C at 760 mmHg |
Density: | 1.248 g/cm3 |
MDL: | MFCD00017197 |
LogP: | 1.42320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110981715-A | Protein chemical cross-linking agent and preparation method and application thereof | 20191104 |
WO-2020172655-A1 | Photoswitchable protacs and synthesis and uses thereof | 20190223 |
WO-2020099882-A1 | Heterocyclic spiro-compounds as am2 receptor inhibitors | 20181115 |
WO-2020099885-A1 | Heterocyclic spiro-compounds as am2 receptor inhibitors | 20181115 |
CN-113227091-A | As AM2Heterocyclic spiro-compounds as receptor inhibitors | 20181115 |
PMID | Publication Date | Title | Journal |
22081328 | 20120101 | Determination of dimethyl phthalate in environment water samples by a highly sensitive indirect competitive ELISA | Applied biochemistry and biotechnology |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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