9,10-Diaminophenanthrene - CAS 53348-04-2
Catalog: |
BB028169 |
Product Name: |
9,10-Diaminophenanthrene |
CAS: |
53348-04-2 |
Synonyms: |
phenanthrene-9,10-diamine |
IUPAC Name: | phenanthrene-9,10-diamine |
Description: | 9,10-Diaminophenanthrene (CAS# 53348-04-2 ) is a useful research chemical. |
Molecular Weight: | 208.26 |
Molecular Formula: | C14H12N2 |
Canonical SMILES: | C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N)N |
InChI: | InChI=1S/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2 |
InChI Key: | VPRFQZSTJXHBHL-UHFFFAOYSA-N |
Boiling Point: | 457.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.283 g/cm3 |
MDL: | MFCD00001178 |
LogP: | 4.31980 |
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 |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15530126 | 20041101 | Parallel screening of homogeneous copper catalysts for the oxidation of benzylic alcohols with molecular oxygen in aqueous solutions | Journal of combinatorial chemistry |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.100048391 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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