1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE
- Iupac Name:1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
- CAS No.: 842954-71-6
- Molecular Weight:182.242
- Modify Date.: 2022-11-25 05:48
1. Names and Identifiers
- 1.1 Name
- 1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE
- 1.2 Synonyms
1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE 1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE 1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE 1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE 1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINE
[2-Amino-1-(4-fluorophenyl)ethyl]dimethylamine1-(4-FLUORO-PHENYL)-N1,N1-DIMETHYL-ETHANE-1,2-DIAMINEASINEX-REAG BAS 12781044
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- 1.3 CAS No.
- 842954-71-6
- 1.4 CID
- 3163525
- 1.5 Molecular Formula
- C10H15FN2 (isomer)
- 1.6 Inchi
- InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
- 1.7 InChIkey
- UUQFFOAUNDPGNS-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CN(C)C(CN)C1=CC=C(C=C1)F
- 1.9 Isomers Smiles
- CN(C)C(CN)C1=CC=C(C=C1)F
2. Properties
- 2.1 Density
- 1.1±0.1 g/cm3 (Predicted)
- 2.1 Boiling point
- 219.4±25.0 °C at 760 mmHg (Predicted)
- 2.1 Refractive index
- 1.523 (Predicted)
- 2.1 Flash Point
- 86.5±23.2 °C (Predicted)
- 2.1 PSA
- 29.26000
- 2.1 logP
- 2.08740
3. Safety and Handling
- 3.1 Hazard Codes
- Xi,T
- 3.1 Risk Statements
- 25
- 3.1 Safety Statements
- 45
- 3.1 Hazard Class
- IRRITANT
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
Pictogram(s) | no data available |
Signal word | no data available |
Hazard statement(s) | no data available |
Precautionary statement(s) | |
Prevention | no data available |
Response | no data available |
Storage | no data available |
Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Computational chemical data
- Molecular Weight: 182.242g/mol
- Molecular Formula: C10H15FN2
- Compound Is Canonicalized: True
- XLogP3-AA: 1
- Exact Mass: 182.12192665
- Monoisotopic Mass: 182.12192665
- Complexity: 142
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 29.3
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzAQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADCjBGAwyAINAAACAAiBCAACCAAAgAAAIiIAIBIgIYCKAkRGUIAhgkAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Recommended Suppliers
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- Tel:803 788-9494 All other calls
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- Tel:803 788-9494 800-733-0244
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7. Realated Product Infomation
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