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CAS No.: | 646-19-5 |
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Name: | 1,7-DIAMINOHEPTANE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H18N2 |
Molecular Weight: | 130.233 |
Synonyms: | (7-Aminoheptyl)amine;1,7-Diamino-n-heptane;1,7-Diaminoheptane;1,7-Heptamethylenediamine;1,9-Diazanonane;Heptamethylenediamine;NSC 45777;a,w-Heptanediamine; |
EINECS: | 211-468-2 |
Density: | 0.859 g/cm3 |
Melting Point: | 26-29 °C(lit.) |
Boiling Point: | 224 °C at 760 mmHg |
Flash Point: | 87.8 °C |
Solubility: | Soluble in water, ethanol, acetone, ether and benzene. |
Appearance: | white to light yellow crystalline chunks |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3259 8 |
PSA: | 52.04000 |
LogP: | 2.25490 |
2,2'-(heptane-1,7-diyl)bis(isoindoline-1,3-dione)
heptane-1,7-diamine
Conditions | Yield |
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With hydrazine hydrate In ethanol at 80℃; | 61% |
Conditions | Yield |
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With sodium; butan-1-ol at 145℃; | |
With ammonia; nickel at 130 - 150℃; under 73550.8 Torr; Hydrogenation; | |
With ethanol; sodium | |
With ammonia; nickel at 90℃; under 44130.5 Torr; Hydrogenation; | |
With cobalt catalyst; ammonia at 120℃; under 73550.8 - 132391 Torr; Hydrogenation; |
Conditions | Yield |
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With sodium hydroxide; bromine |
Conditions | Yield |
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With sodium hypochlorite; dimethylborane; ammonia 2.) 0 deg C, 10 min; Yield given. Multistep reaction; |
2-Hept-6-enyl-1,1,1,3,3,3-hexamethyl-disilazane
heptane-1,7-diamine
Conditions | Yield |
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With sodium hypochlorite; dimethylborane; ammonia 1.) 0 deg C, 1 h, 2.) O deg C; Yield given. Multistep reaction; |
heptane-1,7-diamine
Conditions | Yield |
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With sodium hypobromide |
heptane-1,7-diamine
Conditions | Yield |
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With benzene at 60 - 65℃; Kochen des Reaktionsprodukts mit 20prozentig. HCl.; |
Conditions | Yield |
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Erhitzen des Reaktionsprodukts mit konz.HCl im Rohr auf 160grad; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: PCl5, aq. NH3 2: aq. NaOH, Br2 View Scheme |
4,7-dichloroquinoline
heptane-1,7-diamine
N-(7-chloro-[4]quinolyl)-heptanediyldiamine
Conditions | Yield |
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Inert atmosphere; | 100% |
In pentan-1-ol at 120℃; for 16h; | 80% |
With N-ethyl-N,N-diisopropylamine In pentan-1-ol for 18h; Heating; | 80% |
The 1,7-Heptanediamine, with the CAS registry number 646-19-5, is also known as Heptamethylenediamine. It belongs to the product categories of Alpha, Omega-Alkanediamines; Alpha, Omega-Bifunctional Alkanes; Monofunctional & Alpha,Omega-Bifunctional Alkanes. Its EINECS registry number is 211-468-2. This chemical's molecular formula is C7H18N2 and molecular weight is 130.23. Its IUPAC name is called heptane-1,7-diamine. This chemical is white to light yellow crystalline chunks.
Physical properties of 1,7-Heptanediamine: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.53; (4)ACD/LogD (pH 7.4): -3.52; (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; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 41.54 cm3; (14)Molar Volume: 151.4 cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Density: 0.859 g/cm3; (17)Flash Point: 87.8 °C; (18)Enthalpy of Vaporization: 46.05 kJ/mol; (19)Boiling Point: 224 °C at 760 mmHg; (20)Vapour Pressure: 0.0933 mmHg at 25°C.
Uses of 1,7-Heptanediamine: it can be used to produce N,N'-bis-(7-chloro-[4]quinolyl)-heptanediyldiamine. This reaction will need reagent phenol.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. 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)Canonical SMILES: C(CCCN)CCCN
(2)InChI: InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
(3)InChIKey: PWSKHLMYTZNYKO-UHFFFAOYSA-N