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1073371-85-3 molecular structure
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dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

ChemBase ID: 236442
Molecular Formular: C15H24BNO2
Molecular Mass: 261.16756
Monoisotopic Mass: 261.19000941
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1ccc(CN(C)C)cc1
Canonical SMILES:
CN(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
InChI:
InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3
InChIKey:
SATLWVSJANHADH-UHFFFAOYSA-N

Cite this record

CBID:236442 http://www.chembase.cn/molecule-236442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
IUPAC Traditional name
dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
Synonyms
dimethyl({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER
CAS Number
1073371-85-3
MDL Number
MFCD04971190
PubChem SID
164292352
PubChem CID
3460459

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3460459 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.73737997  LogD (pH = 7.4) 2.5336144 
Log P 3.7873  Molar Refractivity 74.2558 cm3
Polarizability 31.068987 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
43 - 45°C expand Show data source
Hydrophobicity(logP)
3.504 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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