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CAS No.: | 109-73-9 |
---|---|
Name: | Butylamine |
Article Data: | 339 |
Molecular Structure: | |
Formula: | C4H11N |
Molecular Weight: | 73.138 |
Synonyms: | 1-Butanamine;1-Amino-butaan;1-Aminobutan;1-Aminobutane;1-Butanamine;CCRIS 4756;FEMA No. 3130; |
EINECS: | 203-699-2 |
Density: | 0.744 g/cm3 |
Melting Point: | -49 °C(lit.) |
Boiling Point: | 77.3 °C at 760 mmHg |
Flash Point: | 30°F |
Solubility: | MISCIBLE |
Appearance: | colourless to yellow liquid |
Hazard Symbols: | F,C |
Risk Codes: | 11-20/21/22-35 |
Safety: | 3-16-26-29-36/37/39-45 |
PSA: | 26.02000 |
LogP: | 1.44550 |
(E)-2-((butylimino)methyl)phenol
cyclohexylamine
A
N-(2-hydroxybenzylidene)cyclohexylamine
B
N-butylamine
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve; | A 100% B n/a |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water; dimethyl sulfoxide at 60℃; for 4.5h; High pressure; Green chemistry; | 99.9% |
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 30 - 60℃; | 93% |
With [DBUH(+)][C4H9COO(-)]; water; potassium formate at 70℃; for 3h; Ionic liquid; | 82% |
Conditions | Yield |
---|---|
With hydrogen In ethanol at 109.84℃; under 18751.9 Torr; for 7.5h; Autoclave; Green chemistry; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
With ammonia; hydrogen at 200℃; under 3750.38 Torr; Reagent/catalyst; Temperature; Pressure; | 97.7% |
With ammonia; nickel at 200℃; | |
With ammonia at 350 - 400℃; als Katalysatoren, eignen sich Cr2O3,NiO und SiO2 auf Al2O3; |
Conditions | Yield |
---|---|
With ammonia; hydrogen In methanol at 30℃; for 15h; Autoclave; | 96% |
With ammonium hydroxide; Ni6AlO(z); hydrogen at 80℃; under 2250.23 Torr; for 3h; Autoclave; | 83% |
With (S)-1-phenyl-ethylamine; pyridoxal 5'-phosphate; pQR1108 In aq. phosphate buffer; dimethyl sulfoxide at 30℃; for 18h; pH=8; Enzymatic reaction; | 42% |
Conditions | Yield |
---|---|
Stage #1: 1-nitrobutane In water; acetonitrile at 20℃; for 0.0833333h; Stage #2: With sodium tetrahydroborate In water; acetonitrile at 20℃; for 0.333333h; | 95% |
Stage #1: 1-nitrobutane In water at 20℃; for 0.0166667h; Stage #2: With sodium tetrahydroborate In water at 50℃; for 0.166667h; | 93% |
With triethylamine In water at 80℃; for 6h; Inert atmosphere; Green chemistry; chemoselective reaction; | 91% |
N,N'-di-n-butylurea
sodium p-toluenesulfonamide
A
N-[(butylamino)carbonyl]-4-methyl-benzenesulfonamide
B
N-butylamine
Conditions | Yield |
---|---|
at 150℃; for 8h; Product distribution; other time;; | A 94.5% B n/a |
at 150℃; for 5h; | A 94.5% B n/a |
Conditions | Yield |
---|---|
With ammonia; zinc(II) oxide at 420℃; | A 92.2% B n/a |
With ammonia; zinc(II) oxide at 340℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C), other catalyst (oxidized form of SMS-4 Zn-Cr-O);; | A 86.7% B 6% |
The Butylamine is an organic compound with the formula C4H11N. The IUPAC name of this chemical is butan-1-amine. With the CAS registry number 109-73-9, it is also named as 1-Amino-butaan. The product's categories are Pharmaceutical Intermediates; Anilines, Aromatic Amines and Nitro Compounds; Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it is colourless to yellow liquid, which should be stored in a cool and well-ventilated place. It is used as an ingredient in the manufacture of pesticides (such as thiocarbazides), pharmaceuticals, and emulsifiers. It is also a precursor for the manufacture of N,N'-dibutylthiourea, a rubber vulcanization accelerator, and n-butylbenzenesulfonamide, a plasticizer of nylon.
Physical properties about Butylamine are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -2.17; (3)ACD/LogD (pH 7.4): -1.95; (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: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 24.11 cm3; (14)Molar Volume: 98.2 cm3; (15)Polarizability: 9.56×10-24cm3; (16)Surface Tension: 25.3 dyne/cm; (17)Density: 0.744 g/cm3; (18)Flash Point: °C; (19)Enthalpy of Vaporization: 31.81 kJ/mol; (20)Boiling Point: 77.3 °C at 760 mmHg; (21)Vapour Pressure: 97.3 mmHg at 25°C.
Preparation of Butylamine: Butylamine can be prepared by butanol vapor and ammonia . This reaction will need catalyst alumina and molybdenum oxide.
Uses of Butylamine: it can be used to produce N,N'-dibutyl-acetamidine and 2,4,6-trimethyl-[1,3,5]triazine by heating. It will need reagent Ln(CF3SO3)3 with reaction time of 18 hours. The yield is about 4.7%.
When you are using Butylamine, please be cautious about it as the following:
The Butylamine is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause severe burns. When you are using it, wear suitable gloves and eye/face protection and do not empty into drains. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCC
(2)InChI: InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
(3)InChIKey: HQABUPZFAYXKJW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
(5)Std. InChIKey: HQABUPZFAYXKJW-UHFFFAOYSA-N
The toxicity data of Butylamine is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 430mg/kg (430mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
guinea pig | LD50 | skin | 500uL/kg (0.5mL/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
mammal (species unspecified) | LD50 | unreported | 590mg/kg (590mg/kg) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 80, 1975. | |
mouse | LC50 | inhalation | 800mg/m3/2H (800mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982. | |
mouse | LD50 | intraperitoneal | 629mg/kg (629mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
mouse | LD50 | intravenous | 198mg/kg (198mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946. | |
mouse | LD50 | oral | 430mg/kg (430mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975. | |
rabbit | LD50 | skin | 850uL/kg (0.85mL/kg) | Union Carbide Data Sheet. Vol. 7/19/1965, | |
rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949. | |
rat | LD50 | oral | 366mg/kg (366mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Toxicology and Applied Pharmacology. Vol. 63, Pg. 150, 1982. |
rat | LDLo | parenteral | 600mg/kg (600mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Journal of Pharmacology and Experimental Therapeutics. Vol. 20, Pg. 435, 1923. |