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CAS No.: | 111-75-1 |
---|---|
Name: | 2-(BUTYLAMINO)ETHANOL |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H15NO |
Molecular Weight: | 117.191 |
Synonyms: | 2-(Butylamino)ethanol;2-(N-Monobutylamino)ethanol;2-(n-Butylamino)ethanol;2-Hydroxyethyl(butyl)amine;Butyl(2-hydroxyethyl)amine;Butylethanolamine;MBM;N-Butyl-N-(2-hydroxyethyl)amine;N-Butylethanolamine;NSC 1098;Synergex; |
EINECS: | 203-904-5 |
Density: | 0.875 g/cm3 |
Melting Point: | 28.94°C (estimate) |
Boiling Point: | 199.1 °C at 760 mmHg |
Flash Point: | 79.3 °C |
Solubility: | 1000g/L at 20℃ |
Hazard Symbols: | C |
Risk Codes: | 22-34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 2735 8/PG 2 |
PSA: | 32.26000 |
LogP: | 0.75930 |
Conditions | Yield |
---|---|
In ethanol; water at 30 - 40℃; | 78% |
With water |
2-isobutyl-3-butyloxazolidine
A
i-Amyl alcohol
B
2-butylamino-ethanol
C
1-butyl-3-isopropylpyrrole
Conditions | Yield |
---|---|
With potassium hydroxide Reflux; | A n/a B n/a C 73% |
4-Butyl-1-oxa-4-aza-spiro[4.5]decane
A
1-butyl-4,5,6,7-tetrahydro-1H-indole
B
2-butylamino-ethanol
C
cyclohexanol
Conditions | Yield |
---|---|
With potassium hydroxide Heating; CH3ONa as reagent; | A 62% B n/a C n/a |
Conditions | Yield |
---|---|
at 50 - 60℃; | |
at 50 - 60℃; |
Conditions | Yield |
---|---|
With ethanol; platinum Hydrogenation; |
Conditions | Yield |
---|---|
With water at 25℃; Rate constant; Mechanism; pH 10.75 (lysine buffer); H/D isotope effect; |
Conditions | Yield |
---|---|
Hydrogenation; |
2-butylamino-ethanol
Conditions | Yield |
---|---|
With sodium nitrite und Zersetzung des Reaktionsprodukts mit konz.NaOH; | |
With sodium nitrite und Zersetzung des Reaktionsprodukts mit konz.NaOH; |
n-butyldiethanolamine
ammonia
A
N-butylpiperazine
B
2-butylamino-ethanol
C
N-(2-aminoethyl)-N-butyl-1,2-ethanediamine
Conditions | Yield |
---|---|
at 200℃; under 51485.6 Torr; |
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The 2-Butylaminoethanol with CAS registry number of 111-75-1 is also known as 2-(N-Monobutylamino)ethanol. The IUPAC name and product name are the same. Its EINECS registry number is 203-904-5. In addition, the formula is C6H15NO and the molecular weight is 117.19.
Physical properties about 2-Butylaminoethanol are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): -2.46; (3)ACD/LogD (pH 7.4): -1.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 34.97 cm3; (13)Molar Volume: 133.8 cm3; (14)Surface Tension: 30.8 dyne/cm; (15)Density: 0.875 g/cm3; (16)Flash Point: 79.3 °C; (17)Enthalpy of Vaporization: 50.64 kJ/mol; (18)Boiling Point: 199.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0875 mmHg at 25 °C.
Preparation of 2-Butylaminoethanol: it is prepared by reaction of oxirane with butylamine. The reaction needs solvent ethanol, H2O at the temperature of 30-40 °C. The yield is about 78%.
Uses of 2-Butylaminoethanol: it is used to produce 1-triethylsilyloxy-2-(butylamino)ethane by reaction with triethylsilane. The reaction occurs with reagent Ni at 130 °C for 2 hours. The yield is about 93%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCNCCO
2. InChI: InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
3. InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | oral | 7100mg/kg (7100mg/kg) | CARDIAC: CHANGE IN RATE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Toxicology and Applied Pharmacology. Vol. 8, Pg. 344, 1966. |
rat | LD50 | intraperitoneal | 840mg/kg (840mg/kg) | Toxicology and Applied Pharmacology. Vol. 12, Pg. 486, 1968. | |
rat | LD50 | oral | 1150mg/kg (1150mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. |