Home > Compound List > Compound details
1073371-85-3 molecular structure
click picture or here to close

dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine hydrochloride

ChemBase ID: 84723
Molecular Formular: C15H25BClNO2
Molecular Mass: 297.6285
Monoisotopic Mass: 297.16668713
SMILES and InChIs

SMILES:
B1(c2ccc(cc2)CN(C)C)OC(C(O1)(C)C)(C)C.Cl
Canonical SMILES:
CN(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C.Cl
InChI:
InChI=1S/C15H24BNO2.ClH/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;1H
InChIKey:
WQRBUTFEVSUAFF-UHFFFAOYSA-N

Cite this record

CBID:84723 http://www.chembase.cn/molecule-84723.html

Collapse All Expand All

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 hydrochloride
IUPAC Traditional name
dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine hydrochloride
Synonyms
4-[(N,N-Dimethylamino)methyl]benzeneboronic acid pinacol ester hydrochloride
4-((N,N-DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER HCL
CAS Number
1073371-85-3
MDL Number
MFCD07771993
PubChem SID
162071839
PubChem CID
44118821

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44118821 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

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle