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| CAS No.: | 111-68-2 |
|---|---|
| Name: | 1-Aminoheptane |
| Article Data: | 128 |
| Molecular Structure: | |
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| Formula: | C7H17 N |
| Molecular Weight: | 115.219 |
| Synonyms: | Heptylamine(6CI,8CI); 1-Aminoheptane; 1-Heptylamine; NSC 2074; n-Heptylamine |
| EINECS: | 203-895-8 |
| Density: | 0.777 |
| Melting Point: | -23 |
| Boiling Point: | 157 |
| Flash Point: | 44 ºC |
| Solubility: | Soluble in water 6791 mg/L @ 25°C. |
| Appearance: | CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID |
| Hazard Symbols: |
|
| Risk Codes: | R10;R34 |
| Safety: | Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. |
| Transport Information: | UN 2734 |
| PSA: | 26.02000 |
| LogP: | 2.61580 |
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1-azidoheptane
- 111-68-2
1-Heptylamine
| Conditions | Yield |
|---|---|
| With magnesium In methanol for 0.25h; | 98% |
| With chloro-trimethyl-silane; sodium iodide In acetonitrile for 0.333333h; Ambient temperature; | 92% |
| With samarium diiodide In tetrahydrofuran for 1h; Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| With aminedehydrogenase; ammonia; ammonium chloride at 30℃; for 48h; pH=8.7; Enzymatic reaction; | 91% |
| Multi-step reaction with 3 steps 1: sulfuric acid; sodium nitrite 2: hydrogen; nickel / 330 - 340 °C 3: nickel; hydrogen / 340 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: pyridine / dichloromethane / 45 h / 0 - 20 °C / Inert atmosphere 2.1: sodium azide / N,N-dimethyl-formamide / 5 h / 80 °C / Inert atmosphere 3.1: triphenylphosphine / tetrahydrofuran / 22 h / 0 - 20 °C / Inert atmosphere 3.2: 2 h / 20 °C / Inert atmosphere View Scheme | |
| With L-alanin; D-glucose; pyridoxal 5'-phosphate; alanine dehydrogenase from B. subtilis; catalase from M. lysodeikticus; glucose dehydrogenase from DSM; long-chain alcohol oxidase from Aspergillus fumigatus; w-transaminase from Chromobacterium violaceum; NAD; oxygen; ammonium chloride; flavin adenine dinucleotide In aq. phosphate buffer at 20℃; under 1500.15 Torr; for 24h; pH=10; Enzymatic reaction; | |
| With formate dehydrogenase from Candida boidinii; alcohol dehydrogenase from Thermoanaerobacter ethanolicus I86A W110A variant; chimeric amine dehydrogenase generated through domain shuffling of Bb‐PhAmDH variant and L‐AmDH variant, the latter originated from the leucinedehydrogenase from Bacillus stearothermophilus; NADPH oxidase from Bacillus subtilis; nicotinamide adenine dinucleotide phosphate; nicotinamide adenine dinucleotide; catalase In aq. buffer at 30℃; for 12h; pH=8.5; Enzymatic reaction; |
- 42955-46-4
heptylurea
- 111-68-2
1-Heptylamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 70 - 80℃; for 3h; | 90% |
- 127611-47-6
(Z)-7-azidohepta-1,3-diene
- 111-68-2
1-Heptylamine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol | 90% |
| Conditions | Yield |
|---|---|
| With poly(p-aminostyrene)-palladium(II); hydrogen In N,N-dimethyl-formamide at 70℃; under 760 Torr; for 6h; | 89% |
| With iron; acetic acid |
- 127611-45-4
(Z)-7-Azido-hept-3-ene
- 111-68-2
1-Heptylamine
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol | 87% |
| Conditions | Yield |
|---|---|
| With indium(III) chloride; sodium tetrahydroborate In tetrahydrofuran at 25℃; for 4h; Inert atmosphere; | 86% |
| Stage #1: heptanenitrile With borane-2-methyltetrahydrofuran complex In 2-methyltetrahydrofuran at 0℃; for 4h; Heating / reflux; Stage #2: With methanol In 2-methyltetrahydrofuran at 0℃; Product distribution / selectivity; | 84.5% |
| Stage #1: heptanenitrile With borane-THF In tetrahydrofuran at 0℃; for 4h; Heating / reflux; Stage #2: With methanol In tetrahydrofuran at 0℃; Product distribution / selectivity; | 80.7% |
| Conditions | Yield |
|---|---|
| With 5-methyl-1,3,4-thiadiazol-2-amine; triethylamine In ethanol; water at 25℃; for 1h; | 85% |
| With ethanol; ammonia at 100℃; |
- 91342-40-4
N-allylheptan-1-amine
- 111-68-2
1-Heptylamine
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; chromia-pillared montmorillonite catalyst (Cr-PILC) In 2,2,4-trimethylpentane; dichloromethane for 22h; Ambient temperature; | 84% |
| Conditions | Yield |
|---|---|
| With propylamine; lithium; tert-butyl alcohol In ethylenediamine at 20 - 53℃; for 1.75h; Reduction; | 55% |
| With ethanol; platinum under 2206.5 Torr; Hydrogenation; | |
| With ethanol; sodium |
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Chemistry
IUPAC Name: Heptan-1-amine
The MF of Heptylamine (CAS NO.111-68-2) is C7H17N.
The MW of Heptylamine (CAS NO.111-68-2) is 115.22.
Synonyms of Heptylamine (CAS NO.111-68-2): N-Heptylamine ; Heptan-1-amine ; 1,4-Dicyanobutane ; 1-Heptylamine ; Heptylamine
Product Categories: Alkylamines;Monofunctional & alpha,omega-Bifunctional Alkanes
Apperance: clear colorless to slightly yellow liquid
Index of Refraction: 1.427
EINECS: 203-895-8
Density: 0.779 g/ml
Flash Point: 35 °C
Boiling Point: 156.4 °C
Melting Point: -23 °C
Storage temp: Flammables area
Sensitive: Air Sensitive
BRN: 1731688
Uses
Heptylamine (CAS NO.111-68-2) is used as a solvent,also used in organic synthesis .
Production
Heptanal oxime (see 20965) dissolved in anhydrous ethanol, heated to boiling, input of sodium and to maintain refluxing. Sodium dissolved finished, the cooling of reactants, water dilution, the reaction mass distillation, so that distillate removal of ethanol, water and unreacted oxime, remnants of Chiang Kai-shek g amine hydrochloride that is crystallized, using alkali treatment. The availability was G amine and the yield was 60-73%.
Toxicity Data With Reference
| 1. | ipr-rat LDLo:75 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 31 (1968),238. | ||
| 2. | ipr-mus LD50:100 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 30 (1941),623. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.Safety information of Heptylamine (CAS NO.111-68-2):
Hazard Codes 
C
Risk Statements
10 Flammable
34 Causes burns
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR UN 2734 8/PG 2
WGK Germany 1
RTECS MK0600000
F 34
HazardClass 3
PackingGroup III
Standards and Recommendations
DOT Classification: 8; Label: Corrosive, Flammable Liquid (UN 2734); DOT Class: 3; Label: Flammable Liquid, Corrosive (UN 2733)