| Identification | |
| Name: | 1-Butanamine,4,4-dimethoxy-N,N-dimethyl- |
| Synonyms: | Butyraldehyde,4-(dimethylamino)-, dimethyl acetal (8CI);Butylamine,4,4-dimethoxy-N,N-dimethyl- (8CI);4,4-Dimethoxy-N,N-dimethylbutanamine;4-(Dimethylamino)butanal dimethyl acetal; |
| CAS: | 19718-92-4 |
| Molecular Formula: | C8H19NO2 |
| Molecular Weight: | 161.24 |
| InChI: | InChI=1/C8H19NO2/c1-6-7-8(10-4,11-5)9(2)3/h6-7H2,1-5H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.892 |
| Refractive index: | 1.426 |
| Specification: |
The IUPAC name of 4-(N,N-Dimethylamino)butanal dimethyl acetal is 4,4-Dimethoxy-N,N-dimethylbutan-1-amine. With the CAS registry number 19718-92-4, it is also named as 1-Butanamine,4,4-dimethoxy-N,N-dimethyl-. The product's categories are Amines; Intermediate of Triptans. Besides, it is used as intermediates of sumatriptan and zolmitriptan. In addition, its molecular formula is C8H19NO2 and molecular weight is 161.24. The other characteristics of 4-(N,N-Dimethylamino)butanal dimethyl acetal can be summarized as: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.54; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 46.28 cm3; (15)Molar Volume: 180.9 cm3; (16)Polarizability: 18.34×10-24cm3; (17)Surface Tension: 27 dyne/cm; (18)Density: 0.891 g/cm3; (19)Flash Point: 49.2 °C; (20)Enthalpy of Vaporization: 42.54 kJ/mol; (21)Boiling Point: 189.2 °C at 760 mmHg; (22)Vapour Pressure: 0.578 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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