6-Aminochrysene - CAS 2642-98-0
Catalog: |
BB019279 |
Product Name: |
6-Aminochrysene |
CAS: |
2642-98-0 |
Synonyms: |
chrysen-6-amine |
IUPAC Name: | chrysen-6-amine |
Description: | 6-Aminochrysene (CAS# 2642-98-0) is a potent inhibitor of transferase activity. Also, it is used for the synthesis of diarylthiourea analogs as novel anti-cancer agents. |
Molecular Weight: | 243.30 |
Molecular Formula: | C18H13N |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N |
InChI: | InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2 |
InChI Key: | KIVUHCNVDWYUNP-UHFFFAOYSA-N |
Boiling Point: | 501.2 °C at 760 mmHg |
Melting Point: | 209-211 °C (lit.) |
Purity: | 95 % |
Density: | 1.253 g/cm3 |
Appearance: | Orange to brown crystalline powder |
Storage: | 2-8 °C |
MDL: | MFCD00003699 |
LogP: | 5.30960 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021142281-A1 | Ligands for transition metal catalysts | 20200108 |
WO-2021142289-A1 | Complexes of n-heterocyclic carbenes for transition metal catalysis | 20200108 |
KR-101941206-B1 | Novel heterocyclic compound and organic light emitting device containing same | 20180406 |
KR-20180039602-A | Novel heterocyclic compound and organic light emitting device containing same | 20180406 |
WO-2019089536-A1 | Methods and systems comprising modified pipettes for transferring and preserving biomaterial | 20171030 |
PMID | Publication Date | Title | Journal |
18826970 | 20081201 | Establishment of glutamine synthetase of Mycobacterium smegmatis as a protein acetyltransferase utilizing polyphenolic acetates as the acetyl group donors | Journal of biochemistry |
16833155 | 20060701 | Comparing cytotoxicity and genotoxicity in HaCaT cells caused by 6-aminochrysene and 5,6-chrysenequinone under ultraviolet A irradiation | Environmental toxicology and chemistry |
15728263 | 20050301 | The stimulatory role of human cytochrome b5 in the bioactivation activities of human CYP1A2, 2A6 and 2E1: a new cell expression system to study cytochrome P450 mediated biotransformation | Mutagenesis |
15598702 | 20050101 | Black tea intake modulates the excretion of urinary mutagens in rats exposed to 6-aminochrysene: induction of cytochromes P450 by 6-aminochrysene in the rat | Mutagenesis |
14644571 | 20031205 | Identification of 6-aminochrysene photoproducts and study of the effect of a humic acid and riboflavin on its photolysis | Journal of photochemistry and photobiology. B, Biology |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.104799419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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