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Cas Database |
| Name |
3-Chloro-N,N-diethyl-1-propanamine |
EINECS | 203-235-9 |
| CAS No. | 104-77-8 | Density | 0.92 g/cm3 |
| PSA | 3.24000 | LogP | 1.95710 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H16ClN | Boiling Point | 170.474 °C at 760 mmHg |
| Molecular Weight | 149.664 | Flash Point | 56.901 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propylamine,3-chloro-N,N-diethyl- (6CI,7CI,8CI);(3-Chloropropyl)diethylamine;1-Chloro-3-diethylaminopropane;1-Diethylamino-3-chloropropane;3-(Diethylamino)propyl chloride;3-(N,N-Diethylamino)propyl chloride;3-Chloro-N,N-diethyl-N-propylamine;3-Chloro-N,N-diethylpropanamine;3-Chloro-N,N-diethylpropylamine;3-Diethylamino-1-chloropropane;Diethyl(3-chloropropyl)amine;Diethylaminopropyl chloride;N-(3-Chloropropyl)diethylamine; |
Article Data | 30 |
3-Chloro-N,N-diethyl-1-propanamine Specification
The 3-Chloro-N,N-diethyl-1-propanamine, with the CAS registry number 104-77-8, is also known as 1-Chloro-3-diethylaminopropane. Its EINECS number is 203-235-9. This chemical's molecular formula is C7H16ClN and molecular weight is 149.66. What's more, its systematic name is 3-Chloro-N,N-diethyl-1-propanamine. This chemical is used as a kind of pharmaceutical intermediate.
Physical properties of 3-Chloro-N,N-diethyl-1-propanamine are: (1)ACD/LogP: 2.263; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 43.049 cm3; (15)Molar Volume: 162.721 cm3; (16)Polarizability: 17.066×10-24cm3; (17)Surface Tension: 28.1 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 56.901 °C; (20)Enthalpy of Vaporization: 40.688 kJ/mol; (21)Boiling Point: 170.474 °C at 760 mmHg; (22)Vapour Pressure: 1.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCN(CC)CC
(2)Std. InChI: InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3
(3)Std. InChIKey: WVUULNDRFBHTFG-UHFFFAOYSA-N
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