Product Name

  • Name

    1,1-Dimethoxy-N,N-dimethyl-1-butanamine

  • EINECS 606-363-7
  • CAS No. 19718-92-4
  • Article Data6
  • CAS DataBase
  • Density 0.891 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H19NO2
  • Boiling Point 189.2 °C at 760 mmHg
  • Molecular Weight 161.244
  • Flash Point 49.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes R25
  • Molecular Structure Molecular Structure of 19718-92-4 (1,1-Dimethoxy-N,N-dimethyl-1-butanamine)
  • Hazard Symbols
  • 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;
  • PSA 21.70000
  • LogP 0.94710

4-(N,N-Dimethylamino)butanal dimethyl acetal 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.
(1)SMILES:O(C)C(OC)CCCN(C)C
(2)InChI:InChI=1/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
(3)InChIKey:WDZKKBDOGYBYBG-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
(5)Std. InChIKey:WDZKKBDOGYBYBG-UHFFFAOYSA-N

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