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135-49-9 molecular structure
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2,7-dimethylacridine-3,6-diamine hydrochloride

ChemBase ID: 109509
Molecular Formular: C15H16ClN3
Molecular Mass: 273.76064
Monoisotopic Mass: 273.10327521
SMILES and InChIs

SMILES:
Cl.Cc1cc2cc3c(cc(N)c(C)c3)nc2cc1N
Canonical SMILES:
Nc1cc2nc3cc(N)c(cc3cc2cc1C)C.Cl
InChI:
InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H
InChIKey:
BGLGAKMTYHWWKW-UHFFFAOYSA-N

Cite this record

CBID:109509 http://www.chembase.cn/molecule-109509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,7-dimethylacridine-3,6-diamine hydrochloride
IUPAC Traditional name
acridine yellow hydrochloride
Synonyms
ACRIDINE YELLOW
Acridine yellow H107
Basic Yellow K
2,7-Dimethylproflavine
Acridine yellow G
Acridine Yellow G
CAS Number
135-49-9
92-26-2
EC Number
202-141-5
205-194-2
MDL Number
MFCD00012661
Beilstein Number
5-22-11-00340
PubChem SID
162096259
24851921
PubChem CID
8672
CHEBI ID
248841
CHEMBL
329221
Chemspider ID
8348
MeSH Name
Acridine+yellow
Wikipedia Title
Acridine_yellow
Color Index Number
46025

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1986696  LogD (pH = 7.4) 1.8548224 
Log P 2.8752184  Molar Refractivity 75.5407 cm3
Polarizability 30.408264 Å3 Polar Surface Area 64.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Brown/red crystals expand Show data source
Absorption Wavelength
λmax 442 nm expand Show data source
RTECS
AR8790000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
20/21/22-36/37/38-40 expand Show data source
R:22 expand Show data source
R20/21/22, R36/37/38, R68 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
S:36/37/39 expand Show data source
S26, S36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
1
2
0
expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-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
Compostion
Dye content, 90% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C15H15N3 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211361 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 199508 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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