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CAS No.: | 926921-62-2 |
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Name: | 3-[3-(chloromethyl)phenoxy]-n,n-dimethylpropylamine hydrochloride |
Molecular Structure: | |
Formula: | C12H19Cl2NO |
Molecular Weight: | 264.19136 |
Synonyms: | [3-(3-Chloromethylphenoxy)propyl]dimethylaminehydrochloride; |
Melting Point: | 100.5 °C |
Boiling Point: | 358.2 °C at 760 mmHg |
Flash Point: | 170.5 °C |
Hazard Symbols: | C |
PSA: | 12.47000 |
LogP: | 3.55790 |
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The 1-Propanamine,3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1), with CAS registry number 926921-62-2, has the systematic name of 3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-propan-1-amine hydrochloride. This chemical is corrosive. And the chemical formula of this chemical is C12H19Cl2NO.
Physical properties of 1-Propanamine,3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1): (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.41; (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: 170.5 °C; (9)Enthalpy of Vaporization: 61.56 kJ/mol; (10)Boiling Point: 358.2 °C at 760 mmHg; (11)Vapour Pressure: 1.8E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCCOc1cccc(c1)CCl.Cl
(2)InChI: InChI=1/C12H18ClNO.ClH/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13;/h3,5-6,9H,4,7-8,10H2,1-2H3;1H
(3)InChIKey: MCRYCZSEVCPYAW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H18ClNO.ClH/c1-14(2)7-4-8-15-12-6-3-5-11(9-12)10-13;/h3,5-6,9H,4,7-8,10H2,1-2H3;1H
(5)Std. InChIKey: MCRYCZSEVCPYAW-UHFFFAOYSA-N