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1,7-Heptanediamine

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Name

1,7-Heptanediamine

EINECS 211-468-2
CAS No. 646-19-5 Density 0.859 g/cm3
PSA 52.04000 LogP 2.25490
Solubility Soluble in water, ethanol, acetone, ether and benzene. Melting Point 26-29 °C(lit.)
Formula C7H18N2 Boiling Point 224 °C at 760 mmHg
Molecular Weight 130.233 Flash Point 87.8 °C
Transport Information UN 3259 8 Appearance white to light yellow crystalline chunks
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 646-19-5 (1,7-DIAMINOHEPTANE) Hazard Symbols CorrosiveC
Synonyms

(7-Aminoheptyl)amine;1,7-Diamino-n-heptane;1,7-Diaminoheptane;1,7-Heptamethylenediamine;1,9-Diazanonane;Heptamethylenediamine;NSC 45777;a,w-Heptanediamine;

Article Data 17

1,7-Heptanediamine Synthetic route

37830-03-8

2,2'-(heptane-1,7-diyl)bis(isoindoline-1,3-dione)

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 80℃;61%
646-20-8

pimelonitrile

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
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;
1842-72-4

1,7-heptanedicarboxamide

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With sodium hydroxide; bromine
3070-53-9

1,6-heptadiene

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With sodium hypochlorite; dimethylborane; ammonia 2.) 0 deg C, 10 min; Yield given. Multistep reaction;
131259-39-7

2-Hept-6-enyl-1,1,1,3,3,3-hexamethyl-disilazane

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With sodium hypochlorite; dimethylborane; ammonia 1.) 0 deg C, 1 h, 2.) O deg C; Yield given. Multistep reaction;
azelaic acid diamide

azelaic acid diamide

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With sodium hypobromide
azelaic acid-diazide

azelaic acid-diazide

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
With benzene at 60 - 65℃; Kochen des Reaktionsprodukts mit 20prozentig. HCl.;
4549-31-9

1,7-dibromoheptane

70-55-3

toluene-4-sulfonamide

aqueous-alcoholic alkaline solution

aqueous-alcoholic alkaline solution

A

646-19-5

heptane-1,7-diamine

B

heptamethyleneimine

heptamethyleneimine

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts mit konz.HCl im Rohr auf 160grad;
123-99-9

azelaic acid

646-19-5

heptane-1,7-diamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: PCl5, aq. NH3
2: aq. NaOH, Br2
View Scheme
86-98-6

4,7-dichloroquinoline

646-19-5

heptane-1,7-diamine

102882-13-3

N-(7-chloro-[4]quinolyl)-heptanediyldiamine

Conditions
ConditionsYield
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%

1,7-Heptanediamine Specification

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

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