Chemical Properties of (.+/-.)-BDB (CAS 107447-03-0)

(.+/-.)-BDB

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InChI
InChI=1S/C11H15NO2/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10/h3-4,6,9H,2,5,7,12H2,1H3
InChI Key
VHMRXGAIDDCGDU-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CCC(N)Cc1ccc2c(c1)OCO2
Molecular Weight1
193.24
CAS
107447-03-0
Sources

Physical Properties

Property Value Unit Source
Δf 95.12 kJ/mol Joback Calculated Property
Δfgas -199.13 kJ/mol Joback Calculated Property
Δfus 32.20 kJ/mol Joback Calculated Property
Δvap 63.17 kJ/mol Joback Calculated Property
logPoct/wat 1.70 Crippen Calculated Property
Pc 3217.33 kPa Joback Calculated Property
Tboil 625.12 K Joback Calculated Property
Tc 855.07 K Joback Calculated Property
Tfus 408.77 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 405.69 J/mol×K 625.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (ring) 2
=CH- (ring) 3
-NH2 1
=C< (ring) 3
-CH2- 2
-CH3 1
-CH2- (ring) 1

Similar Compounds

N-Methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine. Tenamfetamine. Tenamfetamine. «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride. N-methyl-3,4-methylenedioxyamphetamine. 3,4-Methylenedioxyphentermine. (.+/-.)-MDEA. 1,3-Benzodioxole, 5-propyl-. Homarylamine. Methylenedioxyamphetamine acetate. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). 4-(3,4-Methylenedioxyphenyl)-2-butanone. Phenethylamine, 3-methoxy-.alpha.-methyl-4,5-(methylenedioxy)-. Benzenethanamine, 3,4-dimethoxy-.alpha.-methyl-. 2-Octanone, 8-(3,4-methylenedioxyphenyl).

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