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1092-47-3

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Basic Information
CAS No.: 1092-47-3
Name: 1-[2-[2-[bis(isopropyl)amino]ethoxy]phenyl]butan-1-one hydrochloride
Molecular Structure:
Molecular Structure of 1092-47-3 (1-[2-[2-[bis(isopropyl)amino]ethoxy]phenyl]butan-1-one hydrochloride)
Formula: C18H30ClNO2
Molecular Weight: 327.89
Synonyms: 1-Butanone,1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-, hydrochloride (9CI);Butyrophenone, 2'-[2-(diisopropylamino)ethoxy]-, hydrochloride (7CI,8CI);Ketocaine hydrochloride;o-(2-Diisopropylaminoethoxy)butyrophenonehydrochloride;
EINECS: 214-132-3
Boiling Point: 386.3 °C at 760 mmHg
Flash Point: 187.5 °C
PSA: 29.54000
LogP: 4.96900
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Specification

This chemical is called 1-Butanone,1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-, hydrochloride (1:1), and its systematic name is 1-(2-(2-(Bis(isopropyl)amino)ethoxy)phenyl)butan-1-one hydrochloride. With the molecular formula of C18H30ClNO2, its molecular weight is 327.89. The CAS registry number of this chemical is 1092-47-3.

Other characteristics of the 1-Butanone,1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 4.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 9.01; (7)ACD/KOC (pH 5.5): 6.11; (8)ACD/KOC (pH 7.4): 37.77; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 187.5 °C; (14)Enthalpy of Vaporization: 63.53 kJ/mol; (15)Boiling Point: 386.3 °C at 760 mmHg; (16)Vapour Pressure: 3.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cl.O=C(c1ccccc1OCCN(C(C)C)C(C)C)CCC
2.InChI: InChI=1/C18H29NO2.ClH/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5;/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3;1H
3.InChIKey: KLTGHWCBYMXNQD-UHFFFAOYAC