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| CAS No.: | 16751-59-0 |
|---|---|
| Name: | 4-HEPTYLAMINE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C7H17N |
| Molecular Weight: | 115.219 |
| Synonyms: | Butylamine,1-propyl- (6CI,8CI);(Heptan-4-yl)amine;1-Propylbutanamine;1-Propylbutylamine;4-Aminoheptane;4-Heptylamine; |
| EINECS: | 240-814-5 |
| Density: | 0.777g/cm3 |
| Melting Point: | -19°C (estimate) |
| Boiling Point: | 139.5 °C at 760 mmHg |
| Flash Point: | 41.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 10-34-43 |
| Safety: | 16-26-37/39-53 |
| PSA: | 26.02000 |
| LogP: | 2.61420 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Heptanamine, with CAS registry number 16751-59-0, belongs to the following product categories: (1)Aliphatics; (2)Amines. It has the systematic name of heptan-4-amine. Besides this, it is also called 4-Heptylamine. And the chemical formula of this chemical is C7H17N. What's more, its EINECS is 240-814-5.
Physical properties of 4-Heptanamine: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -0.65; (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: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 37.97 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 15.05×10-24cm3; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 0.777 g/cm3; (19)Flash Point: 41.3 °C; (20)Enthalpy of Vaporization: 37.68 kJ/mol; (21)Boiling Point: 139.5 °C at 760 mmHg; (22)Vapour Pressure: 6.41 mmHg at 25°C.
Preparation: this chemical can be prepared by heptan-4-one. This reaction will need reagents Raney nickel, ethanol, NH3. The reaction temperature is 75 - 80 ℃.
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When you are using this chemical, please be cautious about it as the following:
The 4-Heptanamine is flammable and it may cause burns, so keep it away from sources of ignition. And it may cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should avoid exposure - obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES: NC(CCC)CCC
(2)InChI: InChI=1/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
(3)InChIKey: CLJMMQGDJNYDER-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
(5)Std. InChIKey: CLJMMQGDJNYDER-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 110mg/kg (110mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941. |