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1186041-96-2 molecular structure
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N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

ChemBase ID: 804210
Molecular Formular: C12H20BN3O2
Molecular Mass: 249.1171
Monoisotopic Mass: 249.1648573
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cnc(cn1)N(C)C
Canonical SMILES:
CN(c1cnc(cn1)B1OC(C(O1)(C)C)(C)C)C
InChI:
InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-15-10(8-14-9)16(5)6/h7-8H,1-6H3
InChIKey:
OONVJKKZRKVSEW-UHFFFAOYSA-N

Cite this record

CBID:804210 http://www.chembase.cn/molecule-804210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
IUPAC Traditional name
N,N-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
Synonyms
5-(DIMETHYLAMINO)PYRAZINE-2-BORONIC ACID PINACOL ESTER
CAS Number
1186041-96-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21070 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21070 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) 2.938189  LogD (pH = 7.4) 2.9381998 
Log P 2.9382  Molar Refractivity 66.4549 cm3
Polarizability 27.039429 Å3 Polar Surface Area 47.48 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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