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| CAS No.: | 75-64-9 |
|---|---|
| Name: | tert-Butylamine |
| Article Data: | 165 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H11N |
| Molecular Weight: | 73.138 |
| Synonyms: | tert-Butylamine(8CI);1,1-Dimethylethanamine;1,1-Dimethylethylamine;1-Amino-1,1-dimethylethane;2-Amino-2-methylpropane;2-Aminoisobutane;2-Methyl-2-aminopropane;2-Methyl-2-propanamine;2-Methyl-2-propylamine;Erbumine;N-tert-Butylamine;NSC 9571;Trimethylaminomethane;t-Butylamine; |
| EINECS: | 200-888-1 |
| Density: | 0.744 g/cm3 |
| Melting Point: | -67 °C |
| Boiling Point: | 44.399 °C at 760 mmHg |
| Flash Point: | -9 °C |
| Solubility: | miscible with water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, C, T
|
| Risk Codes: | 11-20/22-35-25 |
| Safety: | 16-26-36/37/39-45-28 |
| Transport Information: | UN 3286 3/PG 2 |
| PSA: | 26.02000 |
| LogP: | 1.44390 |
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1,3,5,7-Tetra-tert-butyl-2,4,6,8-tetrachloro-[1,3,5,7,2,4,6,8]tetrazatetraborocane
A
- 11113-50-1
boric acid
B
- 75-64-9
tert-butylamine
| Conditions | Yield |
|---|---|
| With water In further solvent(s) byproducts: HCl; solvent cyclohexanol, in tube 20.5 h at 160°C; | A n/a B 97% |
| With H2O In further solvent(s) byproducts: HCl; solvent cyclohexanol, in tube 20.5 h at 160°C; | A n/a B 97% |
| With water In xylene byproducts: HCl; in tube 20.5 h boiling; | A n/a B 62% |
| With H2O In xylene byproducts: HCl; in tube 20.5 h boiling; | A n/a B 62% |
| Conditions | Yield |
|---|---|
| With [Zn(BH4)2(py)] In tetrahydrofuran for 0.67h; Heating; | 96% |
| Stage #1: 2-Methyl-2-nitropropane In water; acetonitrile at 20℃; for 0.0833333h; Stage #2: With sodium tetrahydroborate In water; acetonitrile at 20℃; for 0.5h; | 90% |
| With palladium on activated charcoal; tetrabutylammomium bromide; water; sodium hydroxide; silicon at 100℃; for 6h; | 86% |
| Conditions | Yield |
|---|---|
| With calcium hydroxide at 240 - 270℃; for 1.5h; other hydroxides as reagent;; | 96% |
| With sodium hydroxide In 2-ethoxy-ethanol; water at 100℃; Kinetics; Rate constant; other temperature; activaction energy; | 93% |
| Hydrolysis; | 83% |
| With sodium hydroxide; ethylene glycol | |
| With 2-ethoxy-ethanol; sodium hydroxide |
- 111-86-4
n-Octylamine
- 28227-42-1, 30834-74-3
1,4-di-tert-butyl-1,4-diazabutadiene
B
- 75-64-9
tert-butylamine
| Conditions | Yield |
|---|---|
| With formic acid In water; acetonitrile at 15℃; for 30h; | A 92% B n/a |
| Conditions | Yield |
|---|---|
| at 200 - 230℃; for 0.0833333h; Product distribution; pyrolysis without solvent, product isolated as hydrochloride; | A n/a B 86% |
- 28227-42-1, 30834-74-3
1,4-di-tert-butyl-1,4-diazabutadiene
- 613-73-0
1,2-phenylenediacetonitrile
A
- 3029-30-9
naphthalene-1,4-dicarbonitrile
B
- 75-64-9
tert-butylamine
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 120℃; for 1h; | A 82% B n/a |
| Conditions | Yield |
|---|---|
| With 5-methyl-1,3,4-thiadiazol-2-amine; triethylamine In ethanol; water at 25℃; for 1h; | 81% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; copper diacetate In m-xylene for 8h; Schlenk technique; Heating; chemoselective reaction; | A 80% B n/a C n/a |
- 119072-55-8, 7188-38-7
tert-butylisonitrile
- 156-87-6
propan-1-ol-3-amine
A
- 5638-63-1
5,6-dihydro-4H-[1,3]oxazine
B
- 75-64-9
tert-butylamine
| Conditions | Yield |
|---|---|
| With silver cyanide at 90℃; for 18h; | A 70% B n/a |
- 125454-66-2
N-(3-phenylprop-2-yn-1-ylidene)-t-butylamine
- 1192-72-9
4,5-Dimethyl-2(2H)-imidazolinethione
B
- 75-64-9
tert-butylamine
| Conditions | Yield |
|---|---|
| Stage #1: N-(3-phenylprop-2-yn-1-ylidene)-t-butylamine; 4,5-Dimethyl-2(2H)-imidazolinethione In methanol at 60℃; for 0.5h; Stage #2: With water In methanol | A 70% B n/a |
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- Total:34 Page 1 of 1 1
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Standards and Recommendations
DOT Classification: 8; Label: Corrosive, Flammable Liquid (UN 2734); DOT Class: 3; Label: Flammable Liquid, Corrosive (UN 2733)
Specification
The tert-Butylamine, with the CAS registry number 75-64-9, is also known as 2-Amino-2-methylpropane. Its EINECS registry number is 200-888-1. This chemical's molecular formula is C4H11N and molecular weight is 73.14. What's more, both its IUPAC name and systematic name are the same which is called 2-Methylpropan-2-amine. Its classification code is Human Data. The production is an organic chemical compound (specifically, an amine) and occurs as a colorless liquid. It is one of the four isomeric amines of butane, the others being n-Butylamine, sec-Butylamine and Isobutylamine. In addition, it should be kept in a cool and ventilated place.
Physical properties about tert-Butylamine are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.405; (12)Molar Refractivity: 24.081 cm3; (13)Molar Volume: 98.288 cm3; (14)Surface Tension: 23.076 dyne/cm; (15) Density: 0.744 g/cm3; (16)Enthalpy of Vaporization: 28.27 kJ/mol; (17)Boiling Point: 44.399 °C at 760 mmHg; (18)Vapour Pressure: 362.95 mmHg at 25 °C.
Preparation of tert-Butylamine: this chemical can be prepared by tert-Butyl-ure. This reaction needs reagent ethylene glycol and solvents H2SO4, HCN.
(CH3)2C=CH2 + HCN + H2SO4 + 2H2O → (CH3)3CNH2 · H2SO4 + HCOOH
(CH3)3CNH2 · H2SO4 + NH3 → (CH3)3CNH2 + NH4HSO4
Uses of tert-Butylamine: (1) it is used as an intermediate in the preparation of rubber accelerators, pesticides, pharmaceuticals, dyes and other organic compounds; (2) it is used to produce other chemicals. For example, it is used to produce N-tert-Butyl-acetamide. The reaction occurs with solvent tetrahydrofuran and other condition of heating for 25 hours. The yield is 97 %.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contacting. In addition, this chemical is highly flammable and it is harmful by inhalation. What's more, it is toxic if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)N
(2) InChI: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
(3) InChIKey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| man | TCLo | inhalation | 40mg/m3/8H-I (40mg/m3) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | British Journal of Industrial Medicine. Vol. 48, Pg. 26, 1991. |
| mouse | LD50 | unreported | 378mg/kg (378mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(12), Pg. 70, 1985. | |
| rabbit | LD50 | unreported | 375mg/kg (375mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(12), Pg. 70, 1985. | |
| rabbit | LDLo | skin | 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0570521, |
| rat | LC50 | inhalation | 3800mg/m3/4H (3800mg/m3) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BLOOD: HEMORRHAGE | National Technical Information Service. Vol. OTS0570798, |
| rat | LD50 | oral | 44mg/kg (44mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0534846, |
| rat | LD50 | unreported | 450mg/kg (450mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(12), Pg. 70, 1985. |