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CAS No.: | 23580-89-4 |
---|---|
Name: | METHYL-(3-PHENYL-PROPYL)-AMINE |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C10H15N |
Molecular Weight: | 149.236 |
Synonyms: | N-Methyl-3-phenylpropylamine; |
Density: | 0.909 g/cm3 |
Boiling Point: | 227.4 °C at 760 mmHg |
Flash Point: | 97.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 12.03000 |
LogP: | 2.22950 |
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The Benzenepropanamine,N-methyl-, with the CAS registry number of 23580-89-4, is also known as N-Methyl-3-phenylpropylamine. This chemical's molecular formula is C10H15N and molecular weight is 149.23. What's more, its IUPAC name is N-Methyl-3-phenylpropan-1-amine.
Physical properties about the Benzenepropanamine,N-methyl- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -1.21; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 48.66 cm3; (15)Molar Volume: 164 cm3; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 0.909 g/cm3; (18)Flash Point: 97.9 °C; (19)Enthalpy of Vaporization: 46.39 kJ/mol; (20)Boiling Point: 227.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0779 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1CCCNC
(2) InChI: InChI=1/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
(3) InChIKey: MLHBZVFOTDJTPK-UHFFFAOYAU