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| Name |
1-Propanamine,3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 926921-62-2 | Density | N/A |
| PSA | 12.47000 | LogP | 3.55790 |
| Solubility | N/A | Melting Point |
100.5 °C |
| Formula | C12H19Cl2NO | Boiling Point | 358.2 °C at 760 mmHg |
| Molecular Weight | 264.19136 | Flash Point | 170.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
[3-(3-Chloromethylphenoxy)propyl]dimethylaminehydrochloride; |
1-Propanamine,3-[3-(chloromethyl)phenoxy]-N,N-dimethyl-, hydrochloride (1:1) Specification
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
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