Chemical Properties of N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine (CAS 135795-90-3)

N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine

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InChI
InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3
InChI Key
USWVWJSAJAEEHQ-UHFFFAOYSA-N
Formula
C12H17NO2
SMILES
CCC(Cc1ccc2c(c1)OCO2)NC
Molecular Weight1
207.27
CAS
135795-90-3
Other Names
  • MBDB
  • 2-Butanamine, 1-(3,4-methylenedioxyphenyl), N-methyl
  • 2-Methylamino-1-(3,4-methylenedioxyphenyl)butane
  • (.+/-.)-MBDB
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Physical Properties

Property Value Unit Source
Δf 126.48 kJ/mol Joback Calculated Property
Δfgas -200.09 kJ/mol Joback Calculated Property
Δfus 34.70 kJ/mol Joback Calculated Property
Δvap 61.20 kJ/mol Joback Calculated Property
log10WS -3.04 Crippen Calculated Property
logPoct/wat 1.956 Crippen Calculated Property
McVol 167.040 ml/mol McGowan Calculated Property
Pc 2761.36 kPa Joback Calculated Property
Inp [1654.50; 1654.50]   Show Hide
Inp 1654.50 NIST
Inp 1654.50 NIST
Tboil 625.64 K Joback Calculated Property
Tc 843.18 K Joback Calculated Property
Tfus 389.44 K Joback Calculated Property
Vc 0.628 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [445.14; 522.85] J/mol×K [625.64; 843.18] Show Hide
Cp,gas 445.14 J/mol×K 625.64 Joback Calculated Property
Cp,gas 460.34 J/mol×K 661.90 Joback Calculated Property
Cp,gas 474.55 J/mol×K 698.15 Joback Calculated Property
Cp,gas 487.84 J/mol×K 734.41 Joback Calculated Property
Cp,gas 500.28 J/mol×K 770.66 Joback Calculated Property
Cp,gas 511.93 J/mol×K 806.92 Joback Calculated Property
Cp,gas 522.85 J/mol×K 843.18 Joback Calculated Property

Similar Compounds

(.+/-.)-MDEA. N-Methyl-3,4-methylenedioxyamphetamine. (.+/-.)-BDB. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M ((dihydro-), TMS. (.+/-.)-BDB, N-trimethylsilyl-. Methylenedioxyamphetamine, N-heptafluorobutyryl deriv.. Methylenedioxyamphetamine acetate. Butylone M (dihydro), 2Ac. Norverapamil. Nylidrin. Morphinan, 3-methoxy-. Desomorphine. Labetalol. Methylenedioxymethamphetamine, n-heptafluorobutyryl deriv..

Find more compounds similar to N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine.

Sources

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