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Name |
N-tert-Butyldiethanolamine |
EINECS | 218-480-7 |
CAS No. | 2160-93-2 | Density | 0.989g/cm3 |
PSA | 43.70000 | LogP | 0.07150 |
Solubility | Completely soluble in water | Melting Point |
40-45 °C(lit.) |
Formula | C8H19NO2 | Boiling Point | 265.3 °C at 760 mmHg |
Molecular Weight | 161.244 | Flash Point | 118 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-45-36/37/39 | Risk Codes | 36/38-34 |
Molecular Structure | Hazard Symbols | Xi; C | |
Synonyms |
Ethanol,2,2'-(tert-butylimino)di- (6CI,7CI,8CI);2,2'-(tert-Butylimino)diethanol;3-tert-Butyl-3-aza-1,5-pentanediol;Amino Alcohol BDEA;N,N-Bis(2-hydroxyethyl)-tert-butylamine;N-tert-Butyl-2,2'-iminodiethanol;N-tert-Butyl-di(2-hydroxyethyl)amine;N-tert-Butylbis(2-hydroxyethyl)amine;N-tert-Butyldiethanolamine;N-tert-Butyliminodiethanol;NSC 525736;tert-Butylbis(2-hydroxyethyl)amine;tert-Butyldiethanolamine; |
The Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-, with CAS registry number 2160-93-2, has the systematic name of 2,2'-(tert-butylimino)diethanol. Besides this, it is also called N-Tert-butyldiethanolamine. And the chemical formula of this chemical is C8H19NO2. What's more, its EINECS is 218-480-7.
Physical properties of Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.76; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 45.86 cm3; (15)Molar Volume: 162.9 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 58.44 kJ/mol; (21)Boiling Point: 265.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.
Uses of Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis-: it can be used to produce N,N-bis[2-(6-t-butyl-1,3,6,2-dioxazaphosphocan-2-yloxy)ethyl]-t-butylamine. This reaction will need reagent hexamethylphosphorus triamide and solvent benzene. The reaction will need reagent 3 hour(s). The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
The Ethanol,2,2'-[(1,1-dimethylethyl)imino]bis- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(C(C)(C)C)CCO
(2)InChI: InChI=1/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
(3)InChIKey: XHJGXOOOMKCJPP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
(5)Std. InChIKey: XHJGXOOOMKCJPP-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 6144mg/kg (6144mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) MUSCULOSKELETAL: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996. |
rat | LD50 | oral | 2717mg/kg (2717mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996. |