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5452-35-7

Basic Information
CAS No.: 5452-35-7
Name: CYCLOHEPTYLAMINE
Article Data: 33
Molecular Structure:
Molecular Structure of 5452-35-7 (CYCLOHEPTYLAMINE)
Formula: C7H15N
Molecular Weight: 113.203
Synonyms: Cycloheptanamine;Cycloheptylamine;
EINECS: 226-693-1
Density: 0.859 g/cm3
Melting Point: -18 °C
Boiling Point: 163.4 °C at 760 mmHg
Flash Point: 42.2 °C
Appearance: clear colourless to slightly yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 10-37/38
Safety: 23
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Specification

The Cycloheptylazanium, with the CAS registry number 5452-35-7, is also known as Aminocycloheptane. Its EINECS registry number is 226-693-1. This chemical's molecular formula is C7H15N and molecular weight is 113.2. Its IUPAC name is called cycloheptanamine.

Physical properties of Cycloheptylazanium: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.03; (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: 1; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 35.83 cm3; (14)Molar Volume: 131.7 cm3; (15)Surface Tension: 30.6 dyne/cm; (16)Density: 0.859 g/cm3; (17)Flash Point: 42.2 °C; (18)Enthalpy of Vaporization: 40 kJ/mol; (19)Boiling Point: 163.4 °C at 760 mmHg; (20)Vapour Pressure: 2.06 mmHg at 25°C.

Uses of Cycloheptylazanium: it can be used to produce cycloheptanone. This reaction will need reagent water, oxygen and copper.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. In addition, it is irritating to respiratory system and skin. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCCC(CC1)N
(2)InChI: InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
(3)InChIKey: VXVVUHQULXCUPF-UHFFFAOYSA-N