| CAS Number | 92821-64-2 |
| Catalog Number | AG003DIR(AGN-PC-0WH645) |
| Chemical Name | 1,3-Diaminopyrene , |
| IUPAC Name | pyrene-1,3-diamine |
| InChI | InChI=1S/C16H12N2/c17-13-8-14(18)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H,17-18H2 |
| InChI Key | WOFKFNZIJZWWPZ-UHFFFAOYSA-N |
| MDL Number | MFCD00142518 |
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.2799 |
| SMILES | Nc1cc(N)c2ccc3cccc4ccc1c2c34 |
| Synonyms | 1,3-Diaminopyrene,
92821-64-2,
pyrene-1,3-diamine,
1,3-Pyrenediamine,
ACMC-209rht,
SCHEMBL4018577,
CTK3I6145,
DTXSID90532860,
ZINC2512218,
ANW-39903,
MFCD00142518,
AKOS015855584,
TR-029073,
D2167,
FT-0606615,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.286g/mol |
| Monoisotopic Mass | 232.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number