4-Aminobenzo-15-crown-5 hydrochloride supplier

Name
4-Aminobenzo-15-crown-5 hydrochloride
EINECS
CAS No. 111076-66-5
Density
Solubility soluble
Melting Point 228-230 °C(lit.)
Formula C₁₄H₂₁NO₅^.HCl
Boiling Point 464.4 °C at 760 mmHg
Molecular Weight 319.785
Flash Point 256 °C
Transport Information
Appearance off-white to light grey-brown powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,4,7,10,13-Benzopentaoxacyclopentadecin-15-amine,2,3,5,6,8,9,11,12-octahydro-, hydrochloride (9CI);2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine hydrochloride;4'-Aminobenzo-15-crown-5 hydrochloride;
PSA 72.17000
LogP 2.47300

4-Aminobenzo-15-crown-5 hydrochloride Specification

The 4-Aminobenzo-15-crown-5 hydrochloride, with the cas registry number 111076-66-5, has the systematic name of 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine hydrochloride. It is a kind of off-white to light grey-brown powder. And the molecular formula of the chemical is C₁₄H₂₁NO₅^.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.11; (8)ACD/KOC (pH 7.4): 9.19; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.39 Å² ; (13)Flash Point: 256 °C; (14)Enthalpy of Vaporization: 72.58 kJ/mol; (15)Boiling Point: 464.4 °C at 760 mmHg; (16)Vapour Pressure: 8.37E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O1c2c(OCCOCCOCCOCC1)ccc(N)c2
(2)InChI: InChI=1/C14H21NO5.ClH/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13;/h1-2,11H,3-10,15H2;1H
(3)InChIKey: HZNFLCQAHYOUST-UHFFFAOYAM

Product Name

4-Aminobenzo-15-crown-5 hydrochloride

4-Aminobenzo-15-crown-5 hydrochloride Specification

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