Benzenemethanamine,4-methyl-N-propyl- supplier

Name
N-(4-METHYLBENZYL)-N-PROPYLAMINE
EINECS
CAS No. 39190-96-0
Article Data6
CAS DataBase
Density 0.905 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇N
Boiling Point 234.6 °C at 760 mmHg
Molecular Weight 163.263
Flash Point 94.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (p-Methylbenzyl)propylamine;4-Methyl-N-propylbenzylamine;
PSA 12.03000
LogP 2.88550

Benzenemethanamine,4-methyl-N-propyl- Specification

The Benzenemethanamine,4-methyl-N-propyl- is an organic compound with the formula C₁₁H₁₇N. The systematic name of this chemical is (4-methylphenyl)methyl-propylazanium. With the CAS registry number 39190-96-0, it is also named as N-(4-methylbenzyl)-N-propylamine.

Physical properties about Benzenemethanamine,4-methyl-N-propyl- are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): 0.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.52; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 53.48 cm³; (14)Molar Volume: 180.3 cm³; (15)Polarizability: 21.2×10^-24cm³; (16)Surface Tension: 32 dyne/cm; (17)Density: 0.905 g/cm³; (18)Flash Point: 94.8 °C; (19)Enthalpy of Vaporization: 47.14 kJ/mol; (20)Boiling Point: 234.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0524 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(CCC)Cc1ccc(cc1)C
(2)InChI: InChI=1/C11H17N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
(3)InChIKey: KEPDRVSVMRMGCR-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H17N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
(5)Std. InChIKey: KEPDRVSVMRMGCR-UHFFFAOYSA-N

Product Name

N-(4-METHYLBENZYL)-N-PROPYLAMINE

Benzenemethanamine,4-methyl-N-propyl- Specification

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