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153-78-6 molecular structure
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9H-fluoren-2-amine

ChemBase ID: 104100
Molecular Formular: C13H11N
Molecular Mass: 181.23314
Monoisotopic Mass: 181.08914936
SMILES and InChIs

SMILES:
Nc1ccc2c(Cc3ccccc23)c1
Canonical SMILES:
Nc1ccc2c(c1)Cc1c2cccc1
InChI:
InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
InChIKey:
CFRFHWQYWJMEJN-UHFFFAOYSA-N

Cite this record

CBID:104100 http://www.chembase.cn/molecule-104100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-2-amine
IUPAC Traditional name
2-aminofluorene
Synonyms
9H-fluoren-2-amine
2-Fluorenamine
2-Fluorenylamine
2-Aminofluorene
2-AMINOFLUORENE
2-芴基胺
芴-2-胺
2-氨基芴
CAS Number
153-78-6
EC Number
205-817-8
MDL Number
MFCD00001125
Beilstein Number
1945861
PubChem SID
162091480
24890992
PubChem CID
1539

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.861609  H Acceptors
H Donor LogD (pH = 5.5) 2.8844929 
LogD (pH = 7.4) 2.9097614  Log P 2.9100935 
Molar Refractivity 59.5738 cm3 Polarizability 23.597649 Å3
Polar Surface Area 26.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
124-128 °C(lit.) expand Show data source
126-130°C expand Show data source
127 - 131°C expand Show data source
Hydrophobicity(logP)
2.848 expand Show data source
RTECS
LL5075000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
40-68 expand Show data source
Safety Statements
36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Hazard statements
H341-H351 expand Show data source
GHS Precautionary statements
P281-P201-P202-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C13H11N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02154741 external link
Tan to brown powder.
Sigma Aldrich - A55500 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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