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769123-68-4

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Basic Information
CAS No.: 769123-68-4
Name: 3-[4-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride
Molecular Structure:
Molecular Structure of 769123-68-4 (3-[4-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride)
Formula: C12H19Cl2NO
Molecular Weight: 264.19136
Synonyms: 1-Propanamine,3-[4-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (9CI);
Melting Point: 115.5 °C
Boiling Point: 358.6 °C at 760 mmHg
Flash Point: 170.7 °C
PSA: 12.47000
LogP: 3.55790
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    3-[4-(CHLOROMETHYL)PHENOXY]-N,N-DIMETHYLPROPYLAMINE HCLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • 3-[4-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride

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Specification

The 1-Propanamine,3-[4-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1), with the CAS registry number 769123-68-4, is also known as 4-[3-(Dimethylamino)propoxy]benzyl chloride hydrochloride. This chemical's molecular formula is C12H19Cl2NO and molecular weight is 264.19136. What's more, its systematic name is called 3-[4-(Chloromethyl)phenoxy]-N,N-dimethyl-propan-1-amine hydrochloride.

Physical properties about 1-Propanamine,3-[4-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1) are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.42; (4)#H bond acceptors: 2; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 6 ; (7)Polar Surface Area: 12.47 Å2; (8)Flash Point: 170.7 °C; (9)Enthalpy of Vaporization: 61.6 kJ/mol; (10)Boiling Point: 358.6 °C at 760 mmHg; (11)Vapour Pressure: 1.75E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)CCCOc1ccc(cc1)CCl.Cl
(2) InChI: InChI=1/C12H18ClNO.ClH/c1-14(2)8-3-9-15-12-6-4-11(10-13)5-7-12;/h4-7H,3,8-10H2,1-2H3;1H
(3) InChIKey: QJUMEHQGZPKXLM-UHFFFAOYAZ