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611-64-3 molecular structure
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9-methylacridine

ChemBase ID: 118124
Molecular Formular: C14H11N
Molecular Mass: 193.24384
Monoisotopic Mass: 193.08914936
SMILES and InChIs

SMILES:
n1c2c(c(c3c1cccc3)C)cccc2
Canonical SMILES:
Cc1c2ccccc2nc2c1cccc2
InChI:
InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
InChIKey:
FLDRLXJNISEWNZ-UHFFFAOYSA-N

Cite this record

CBID:118124 http://www.chembase.cn/molecule-118124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-methylacridine
IUPAC Traditional name
acridine, 9-methyl-
Synonyms
9-methylacridine
9-Methylacridine
CAS Number
611-64-3
EC Number
210-272-4
MDL Number
MFCD00143523
PubChem SID
162091090
PubChem CID
11913

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11913 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.844881  LogD (pH = 7.4) 3.9246287 
Log P 4.019649  Molar Refractivity 61.0987 cm3
Polarizability 26.51675 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
117-119 °C(lit.) expand Show data source
117-119°C expand Show data source
Partition Coefficient
4.0069 expand Show data source
RTECS
AR9440000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
96% expand Show data source
Empirical Formula (Hill Notation)
C14H11N expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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