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1007126-41-1 molecular structure
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N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine

ChemBase ID: 291120
Molecular Formular: C18H24BNO2
Molecular Mass: 297.19966
Monoisotopic Mass: 297.19000941
SMILES and InChIs

SMILES:
CC1(C)C(C)(C)OB(c2c3ccccc3c(N(C)C)cc2)O1
Canonical SMILES:
CN(c1ccc(c2c1cccc2)B1OC(C(O1)(C)C)(C)C)C
InChI:
InChI=1S/C18H24BNO2/c1-17(2)18(3,4)22-19(21-17)15-11-12-16(20(5)6)14-10-8-7-9-13(14)15/h7-12H,1-6H3
InChIKey:
JXQGIGJKFBLRGA-UHFFFAOYSA-N

Cite this record

CBID:291120 http://www.chembase.cn/molecule-291120.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
IUPAC Traditional name
N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
Synonyms
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CAS Number
1007126-41-1
MDL Number
MFCD18087705
PubChem SID
180676651
PubChem CID
53216762

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230767 Please log in.
Data Source Data ID
PubChem 53216762 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1619225  LogD (pH = 7.4) 5.166936 
Log P 5.167  Molar Refractivity 86.5919 cm3
Polarizability 36.402016 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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