CAS No.41789-95-1,3-METHOXY-N-METHYLBENZYLAMINE 97 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	41789-95-1
Name:	3-METHOXY-N-METHYLBENZYLAMINE 97
Article Data:	24

Formula:	C₉H₁₃NO
Molecular Weight:	151.208
Synonyms:	(3-Methoxybenzyl)methylamine;1-(3-Methoxyphenyl)-N-methylmethanamine;3-Methoxy-1-(methylaminomethyl)benzene;N-(3-Methoxybenzyl)-N-methylamine;N-Methyl-3-methoxybenzylamine;
Density:	1.014 g/cm³
Boiling Point:	130-133 °C (28 mmHg)
Flash Point:	100 °C
Hazard Symbols:	Xn
Risk Codes:	22-41-43
Safety:	26-36/37/39
PSA:	21.26000
LogP:	1.80550

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Specification

This chemical is called 3-Methoxy-N-methylbenzylamine, and its IUPAC name is 1-(3-methoxyphenyl)-N-methylmethanamine. With the molecular formula of C₉H₁₃NO, its molecular weight is 151.21. The CAS registry number of this chemical is 41789-95-1, and its product categories are Amines; C9 to C10; Nitrogen Compounds.

Other characteristics of the 3-Methoxy-N-methylbenzylamine can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -0.76; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 46.07 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 18.26×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 45.81 kJ/mol; (21)Boiling Point: 221.6 °C at 760 mmHg; (22)Vapour Pressure: 0.106 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It has risk of serious damage to the eyes and may cause sensitization by skin contact. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1cc(ccc1)CNC)C
2.InChI: InChI=1/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
3.InChIKey: FIFKRPFWLHBMHL-UHFFFAOYAN