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74-94-2 molecular structure
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boranylidenedimethylamine

ChemBase ID: 150966
Molecular Formular: C2H9BN
Molecular Mass: 57.91056
Monoisotopic Mass: 58.08280469
SMILES and InChIs

SMILES:
[BH2-][NH+](C)C
Canonical SMILES:
[BH2-][NH+](C)C
InChI:
InChI=1S/C2H10BN/c1-4(2)3/h4H,1-3H3
InChIKey:
RUOMFVPJBOADHA-UHFFFAOYSA-N

Cite this record

CBID:150966 http://www.chembase.cn/molecule-150966.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
boranylidenedimethylamine
IUPAC Traditional name
boranylidenedimethylamine
Synonyms
Dimethylamine borane
Borane dimethylamine complex
二甲胺硼烷
硼烷二甲胺络合物
CAS Number
74-94-2
EC Number
200-823-7
MDL Number
MFCD00051068
PubChem SID
24849573
162245125
24850856
PubChem CID
9898794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9898794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6968507  LogD (pH = 7.4) -1.6898894 
Log P -1.6898  Molar Refractivity 27.7083 cm3
Polarizability 8.276489 Å3 Polar Surface Area 4.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
36 °C(lit.) expand Show data source
Flash Point
109.4 °F expand Show data source
43 °C expand Show data source
RTECS
IP9450000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2926 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-24/25 expand Show data source
Safety Statements
16-28-36/37-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H301 + H311 expand Show data source
GHS Precautionary statements
P210-P280-P301 + P310-P312 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2926 4.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (RT) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)2NH · BH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 180238 external link
Application
Reagent used in a Ni-catalyzed reduction of electron-deficient aryl tosylates.1 The catalyst is composed of commercially available Ni(PPh3)2Cl2(529621) and PCy3(261971).
Packaging
5, 25, 100 g in glass bottle
Sigma Aldrich - 15584 external link
Other Notes
An alternative reagent for the reductive alkylation of proteins.; Slightly weaker than sodium cyanoborohydride but less toxic.; Allows reaction under neutral to mild acidic conditions1; Review2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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