3-(2-N,N-Diethylaminoethylaminocarbonyl)phenylboronic acid, HCl
- Iupac Name：2-(2,4-diaminophenoxy)ethanol;dihydrochloride
- CAS No.: 11138-66-2
- Molecular Weight：182.2179
- Modify Date.: 2022-03-11 02:58
1. Names and Identifiers
- 1.1 Name
- 3-(2-N,N-Diethylaminoethylaminocarbonyl)phenylboronic acid, HCl
- 1.2 Synonyms
(3-((2-(DiethylaMino)ethyl)carbaMoyl)phenyl)boronic acid hydrochloride [3-[2-(diethylamino)ethylcarbamoyl]phenyl]boronic acid 3-[2-(Diethylamino)ethylaminocarbonyl]phenylboronic acid hydrochloride
- 1.3 CAS No.
- 11138-66-2
- 1.4 CID
- 47932
- 1.5 Molecular Formula
- C8H9BClNO3 (isomer)
- 1.6 Inchi
- InChI=1S/C8H12N2O2.2ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;;/h1-2,5,11H,3-4,9-10H2;2*1H
- 1.7 InChkey
- VXYWXJXCQSDNHX-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=CC(=C(C=C1N)N)OCCO.Cl.Cl
- 1.9 Isomers Smiles
- C1=CC(=C(C=C1N)N)OCCO.Cl.Cl
2. Properties
- 3.1 Density
- 1.42
- 3.1 Melting point
- 64.43 °C
- 3.1 Boiling point
- 205.9±40.0 °C(Predicted)
- 3.1 Precise Quality
- 240.043228
- 3.1 Storage
- Ambient temperatures.
3. Safety and Handling
- 4.1 Safety Statements
- 24/25
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 1
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 182.2179g/mol
- Molecular Formula: C8H9BClNO3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 240.0432331
- Monoisotopic Mass: 240.0432331
- Complexity: 132
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 81.5
- Heavy Atom Count: 14
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 3
- CACTVS Substructure Key Fingerprint: AAADccBzMAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyhkAIwxoBABgCAACRCQACCCAAgIgAIiAAHbIgPNiKE8duDOCDk0BEL6AewQAAAAEAAAAQAEAAAgAAACAAgAAAAAAAAAA==
6. Question & Answer
-
Carefully. It wants to lump immediately so you need to be stirring or whisking as you add it. The more it hits your liquid slowly like individual particles, the better. I'm better now but definitely have room for improvement with my technique/ skills.
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8. Realated Product Infomation
skype