4-Aminophthalic Acid(Contains 3-Aminophthalic Acid) - CAS 5434-21-9
Catalog: |
BB028606 |
Product Name: |
4-Aminophthalic Acid(Contains 3-Aminophthalic Acid) |
CAS: |
5434-21-9 |
Synonyms: |
4-aminophthalic acid; 4-aminophthalic acid |
IUPAC Name: | 4-aminophthalic acid |
Description: | 4-Aminophthalic Acid(Contains 3-Aminophthalic Acid) (CAS# 5434-21-9) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | C1=CC(=C(C=C1N)C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) |
InChI Key: | OXSANYRLJHSQEP-UHFFFAOYSA-N |
Boiling Point: | 465.1 ℃ at 760 mmHg |
Density: | 1.551 g/cm3 |
MDL: | MFCD00013985 |
LogP: | 1.24640 |
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 |
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PMID | Publication Date | Title | Journal |
22024358 | 20111024 | Immune enhancement by novel vaccine adjuvants in autoimmune-prone NZB/W F1 mice: relative efficacy and safety | BMC immunology |
20390441 | 20101101 | An indirect competitive fluorescence immunoassay for determination of dicyclohexyl phthalate in water samples | Journal of fluorescence |
17086698 | 20060901 | [Study of dicyclohexyl phthalate on preparation and characterization of artificial antigen] | Wei sheng yan jiu = Journal of hygiene research |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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