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55145-14-7 molecular structure
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1-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 105929
Molecular Formular: C16H14N2O4
Molecular Mass: 298.29336
Monoisotopic Mass: 298.09535694
SMILES and InChIs

SMILES:
CN(C)c1ccc2c(C)c(N3C(=O)C=CC3=O)c(=O)oc2c1
Canonical SMILES:
O=C1C=CC(=O)N1c1c(=O)oc2c(c1C)ccc(c2)N(C)C
InChI:
InChI=1S/C16H14N2O4/c1-9-11-5-4-10(17(2)3)8-12(11)22-16(21)15(9)18-13(19)6-7-14(18)20/h4-8H,1-3H3
InChIKey:
ADEORFBTPGKHRP-UHFFFAOYSA-N

Cite this record

CBID:105929 http://www.chembase.cn/molecule-105929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[7-(dimethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
1-[7-(dimethylamino)-4-methyl-2-oxochromen-3-yl]pyrrole-2,5-dione
Synonyms
DACM-3
N-(7-Dimethylamino-4-methyl-3-coumarinyl)maleimide
DACM
N-(7-DIMETHYLAMINO-4-METHYL-3-COUMARINYL) MALEIMIDE
N-(7-二甲氨基-4-甲基-3-香豆素基)马来酰亚胺
CAS Number
55145-14-7
EC Number
259-499-0
MDL Number
MFCD00006863
Beilstein Number
1545346
PubChem SID
162092683
PubChem CID
93302

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 93302 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5176839  LogD (pH = 7.4) 1.5199953 
Log P 1.5200248  Molar Refractivity 82.2134 cm3
Polarizability 30.072344 Å3 Polar Surface Area 66.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
218-220 °C(lit.) expand Show data source
Storage Condition
2-8°C, Desiccate, Protect from light expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
37/38 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H335 expand Show data source
GHS Precautionary statements
P261 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C16H14N2O4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195145 external link
Crystalline
A fluorescent probe that has a fluorescent spectrum at higher wave-length and better water solubility than the Dansyl-group.
Sigma Aldrich - 285641 external link
Packaging
1 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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