N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine supplier

Name
N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine
EINECS
CAS No. 103818-46-8
Article Data2
CAS DataBase
Density 1.079 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 284.578 °C at 760 mmHg
Molecular Weight 207.27
Flash Point 116.566 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine;1-(1,3-Benzodioxol-5-yl)-N-methylbutan-2-amine;
PSA 30.49000
LogP 2.34670

N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine Specification

The CAS register number of N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine is 103818-46-8. It also can be called as 1,3-Benzodioxole-5-ethanamine, alpha-ethyl-N-methyl-, (+-)- and the IUPAC name about this chemical is 1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine. The molecular formula about this chemical is C₁₂H₁₇NO₂and the molecular weight is 207.27.

Physical properties about N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine are: (1)ACD/LogP: 1.88; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 30.49Å²; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 59.416 cm³; (12)Molar Volume: 192.141 cm³; (13)Polarizability: 23.554x10^-24cm³; (14)Surface Tension: 40.238 dyne/cm; (15)Enthalpy of Vaporization: 52.357 kJ/mol; (16)Boiling Point: 284.578 °C at 760 mmHg; (17)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(NC)Cc1ccc2COOc2c1
(2)InChI: InChI=1/C12H17NO2/c1-3-11(13-2)6-9-4-5-10-8-14-15-12(10)7-9/h4-5,7,11,13H,3,6,8H2,1-2H3
(3)InChIKey: KRMIOPPZVAJRIM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C12H17NO2/c1-3-11(13-2)6-9-4-5-10-8-14-15-12(10)7-9/h4-5,7,11,13H,3,6,8H2,1-2H3
(5)Std. InChIKey: KRMIOPPZVAJRIM-UHFFFAOYSA-N

Product Name

N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine

N-Methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine Specification

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