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Basic Information
CAS No.: 111-68-2
Name: 1-Aminoheptane
Molecular Structure:
Molecular Structure of 111-68-2 (1-Aminoheptane)
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
Synthetic route
44961-22-0

1-azidoheptane

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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%
111-70-6

n-heptan1ol

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide at 70 - 80℃; for 3h;90%
127611-47-6

(Z)-7-azidohepta-1,3-diene

111-68-2

1-Heptylamine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol90%
693-39-0

1-nitroheptane

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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
ConditionsYield
With hydrogen; palladium on activated charcoal In ethanol87%
629-08-3

heptanenitrile

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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%
629-04-9

1-Bromoheptane

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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
ConditionsYield
With tert.-butylhydroperoxide; chromia-pillared montmorillonite catalyst (Cr-PILC) In 2,2,4-trimethylpentane; dichloromethane for 22h; Ambient temperature;84%
629-31-2

1-heptanal oxime

111-68-2

1-Heptylamine

Conditions
ConditionsYield
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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    1-Aminoheptane Heptan-1-amine; 1-Heptanamine; 1-Aminoheptane; Heptylamine; CAS: 111-68-2 Molecular formula: C7H17N Molecular weight: 115.21700 Exact quality: 115.13600 PSA: 26.02000 LogP: 2.61580 Physical and chemical properties Den

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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  CorrosiveC
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)