5-Amino-dimethyl-isophthalate - CAS 99-27-4
Catalog: |
BB042270 |
Product Name: |
5-Amino-dimethyl-isophthalate |
CAS: |
99-27-4 |
Synonyms: |
Dimethyl 5-Aminoisophthalate; 3,5-Dicarbomethoxyaniline; 5-Aminoisophthalic acid dimethyl ester; 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester; 1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate; Isophthalic acid, 5-amino-, dimethyl ester; Methyl 5-amino-3-(methoxycarbonyl)benzoate; NSC 34721 |
Related CAS: | 185457-33-4 (hydrochloride)
|
IUPAC Name: | dimethyl 5-aminobenzene-1,3-dicarboxylate |
Description: | Dimethyl 5-Aminoisophthalate was useful in the preparation of porous microspheres from discotic tripeptides as potential candidates for drug delivery. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)N)C(=O)OC |
InChI: | InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3 |
InChI Key: | DEKPYXUDJRABNK-UHFFFAOYSA-N |
Boiling Point: | 366.6±22.0°C at 760 mmHg |
Melting Point: | 178-181°C |
Purity: | ≥95% |
Density: | 1.248±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform |
Appearance: | Solid Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00008435 |
LogP: | 1.42320 |
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-113185439-A | V-shaped chiral carboxylic acid ligand, preparation method and application thereof | 20210511 |
CN-112480381-A | Photochromic azobenzene polyester, preparation method thereof and photochromic polyester fiber | 20201111 |
CN-112111032-A | Semi-main-chain azobenzene photo-thermal energy storage polymer and preparation method and application thereof | 20200922 |
CN-112111032-B | Semi-main-chain azobenzene photo-thermal energy storage polymer and preparation method and application thereof | 20200922 |
WO-2021062549-A1 | Redox active materials, processes and uses thereof | 20191004 |
Complexity: | 230 |
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: | 0.9 |
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