Specification: |
The (R)-(-)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine, with the cas registry number 157488-65-8, is also called N,N-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine. And the molecular formula of the chemical is C22H18NO2P.
The characteristics of this chemical are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.649; (4)ACD/LogD (pH 7.4): 4.649; (5)ACD/BCF (pH 5.5): 2009.291; (6)ACD/BCF (pH 7.4): 2009.395; (7)ACD/KOC (pH 5.5): 8052.085; (8)ACD/KOC (pH 7.4): 8052.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.29 Å2; (13)Flash Point: 285.628 °C; (14)Enthalpy of Vaporization: 82.831 kJ/mol; (15)Boiling Point: 548.673 °C at 760 mmHg; (16)Vapour Pressure: 0 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 clothing, 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: CN(C)p1oc2ccc3ccccc3c2c4c5ccccc5ccc4o1
(2)InChI: InChI=1/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3
(3)InChIKey: QCHAVHXSBZARBO-UHFFFAOYAZ
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