Benzenepropanamine,N-methyl- supplier

Name
METHYL-(3-PHENYL-PROPYL)-AMINE
EINECS
CAS No. 23580-89-4
Article Data35
CAS DataBase
Density 0.909 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅N
Boiling Point 227.4 °C at 760 mmHg
Molecular Weight 149.236
Flash Point 97.9 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xi
Synonyms N-Methyl-3-phenylpropylamine;
PSA 12.03000
LogP 2.22950

Benzenepropanamine,N-methyl- Specification

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

Product Name

METHYL-(3-PHENYL-PROPYL)-AMINE

Benzenepropanamine,N-methyl- Specification

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