2,5-Diaminoterephthalic acid - CAS 945-30-2
Catalog: |
BB041408 |
Product Name: |
2,5-Diaminoterephthalic acid |
CAS: |
945-30-2 |
Synonyms: |
2,5-diaminoterephthalic acid |
IUPAC Name: | 2,5-diaminoterephthalic acid |
Description: | 2,5-Diaminoterephthalic acid (CAS# 945-30-2) is a useful research chemical compound. |
Molecular Weight: | 196.16 |
Molecular Formula: | C8H8N2O4 |
Canonical SMILES: | C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O |
InChI: | InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14) |
InChI Key: | WIOZZYWDYUOMAY-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00464161 |
LogP: | 1.40980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 127 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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