Basic information
- CAS
304-28-9- Standard SMILES
CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2- InChIKey
XBZBRCVCSVLJJZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Overview
has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79)
Names & identifiers
- Preferred name
- N,N'-9H-Fluorene-2,7-diylbis(acetamide)
- IUPAC
- N-(7-acetamido-9H-fluoren-2-yl)acetamide
- English name
- 2,7-Di(acetamido)fluorene
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
304-28-92,7-Diacetamidofluorene2,7-Bis(acetamido)fluorene2,7-DiacetylaminofluoreneAcetamide, N,N'-9H-fluorene-2,7-diylbis-2,7-FluorenylbisacetamideN,N'-2,7-FluorenylenediacetamideN,N'-Fluoren-2,7-ylenebisacetamideN,N'-(Fluoren-2,7-ylene)bis(acetylamine)O61IVF6HX7ACETAMIDE, N,N'-FLUOREN-2,7-YLENEBIS-NSC-12282
Show more names
2,7-faaDiacetamidofluorene2,7-Di(acetamido)fluorene2,7-Di(acetamido)fluorene >2,7-DI(ACETAMIDO)FLUORENE 96+%n,n’-fluoren-2,7-ylbisacetamiden,n’-2,7-fluorenylenediacetamide
N,N'-2,7-FluorenylenebisacetamideN,N'-(Fluoren-2,7-ylene)bis[acetylamine]2,7-fluorenyldiacetamideRefChem:9264032,7 diacetylaminofluoreneN,N'-fluorene-2,7-ylenebisacetamideN,N'-9H-Fluorene-2,7-diylbis(acetamide)206-153-1
Database identifiers
- CAS
304-28-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
Collision Cross Section176.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9021479]
Physicochemical properties
- Melting point
- 281 °C · 281 °C
- Boiling point
- 423.04 °C · 423.04°C (rough estimate)
- Density
- 1.0999 · 1.0999 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 14.52 · 14.52±0.20(Predicted)
- FDA UNII
- 61 IVF6HX7 · O61IVF6HX7
- RTECS
- 700000 · AC0700000
- Toxicity
- 100 mg/plate · mmo-sat 100 mg/plate PNASA6 69,3128,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- AC0700000
- Toxicity
- mmo-sat 100 mg/plate PNASA6 69,3128,72
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers28 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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