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3548-09-2 molecular structure
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6-chloro-2-methoxyacridin-9-amine

ChemBase ID: 134317
Molecular Formular: C14H11ClN2O
Molecular Mass: 258.70294
Monoisotopic Mass: 258.05599066
SMILES and InChIs

SMILES:
COc1ccc2c(c1)c(c1ccc(cc1n2)Cl)N
Canonical SMILES:
COc1ccc2c(c1)c(N)c1c(n2)cc(cc1)Cl
InChI:
InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)
InChIKey:
IHHSSHCBRVYGJX-UHFFFAOYSA-N

Cite this record

CBID:134317 http://www.chembase.cn/molecule-134317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-methoxyacridin-9-amine
IUPAC Traditional name
6-chloro-2-methoxyacridin-9-amine
Synonyms
ACMA
9-Amino-6-chloro-2-methoxyacridine
CAS Number
3548-09-2
MDL Number
MFCD07374304
PubChem SID
24891024
162228594
PubChem CID
19080

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A5806 external link Add to cart Please log in.
Data Source Data ID
PubChem 19080 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4469007  LogD (pH = 7.4) 2.0990627 
Log P 3.123675  Molar Refractivity 72.0259 cm3
Polarizability 30.001398 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
AR7330000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38-40 expand Show data source
Safety Statements
22-26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335-H351 expand Show data source
GHS Precautionary statements
P261-P281-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥95% expand Show data source
Suitability
suitable for fluorescence expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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