2-Bromo-N,N-diethylethylamine hydrobromide - CAS 1069-72-3
Catalog: |
BB001950 |
Product Name: |
2-Bromo-N,N-diethylethylamine hydrobromide |
CAS: |
1069-72-3 |
Synonyms: |
2-bromo-N,N-diethylethanamine;hydrobromide |
IUPAC Name: | 2-bromo-N,N-diethylethanamine;hydrobromide |
Description: | 2-Bromo-N,N-diethylethylamine hydrobromide (CAS# 1069-72-3) is a useful synthetic intermediate. 2-Bromo-N,N-diethylethylamine hydrobromide is also used as a reagent to synthesize benzothiopyranoindazoles, compounds that have anticancer activity, specifically against murine leukemias. |
Molecular Weight: | 261.00 |
Molecular Formula: | C6H15Br2N |
Canonical SMILES: | CCN(CC)CCBr.Br |
InChI: | InChI=1S/C6H14BrN.BrH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H |
InChI Key: | HLMHCDKXKXBKQK-UHFFFAOYSA-N |
Boiling Point: | 161.6 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.216 g/cm3 |
Appearance: | White to yellow powder or crystals |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD00040376 |
LogP: | 2.68120 |
GHS Hazard Statement: | H300 (97.44%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 43.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.95508 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.95712 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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