3,6-Diamino-9H-xanthene - CAS 199116-57-9
Catalog: |
BB015375 |
Product Name: |
3,6-Diamino-9H-xanthene |
CAS: |
199116-57-9 |
Synonyms: |
9H-xanthene-3,6-diamine; 9H-xanthene-3,6-diamine |
IUPAC Name: | 9H-xanthene-3,6-diamine |
Description: | 3,6-Diamino-9H-xanthene (CAS# 199116-57-9 ) is a useful research chemical. |
Molecular Weight: | 212.25 |
Molecular Formula: | C13H12N2O |
Canonical SMILES: | C1C2=C(C=C(C=C2)N)OC3=C1C=CC(=C3)N |
InChI: | InChI=1S/C13H12N2O/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-4,6-7H,5,14-15H2 |
InChI Key: | WRCZSYNKKSWEFM-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
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Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.094963011 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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