Home > Compound List > Compound details
214360-73-3 molecular structure
click picture or here to close

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

ChemBase ID: 813091
Molecular Formular: C12H19BClNO2
Molecular Mass: 255.54876
Monoisotopic Mass: 255.11973693
SMILES and InChIs

SMILES:
Cl.CC1(C)OB(OC1(C)C)c1ccc(cc1)N
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N.Cl
InChI:
InChI=1S/C12H18BNO2.ClH/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9;/h5-8H,14H2,1-4H3;1H
InChIKey:
BPWXBRPJNZRTGP-UHFFFAOYSA-N

Cite this record

CBID:813091 http://www.chembase.cn/molecule-813091.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
IUPAC Traditional name
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
Synonyms
(4-AMINOPHENYL)BORONIC ACID PINACOL ESTER HYDROCHLORIDE
CAS Number
214360-73-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34010 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34010 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1154773  LogD (pH = 7.4) 3.1171782 
Log P 3.1172  Molar Refractivity 60.4135 cm3
Polarizability 25.14319 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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