CAS No.102-05-6,DIBEMETHINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	102-05-6
Name:	DIBEMETHINE
Article Data:	144

Formula:	C₁₅H₁₇N
Molecular Weight:	211.307
Synonyms:	Dibenzylamine,N-methyl- (6CI,7CI,8CI);DBMA;Dibemethin;Dibemethine;L566;Methyldibenzylamine;N,N-Dibenzylmethylamine;N-Benzyl-N-methylbenzylamine;N-Methyl-N,N-dibenzylamine;N-Methyldibenzylamine;NSC 163900;Revoxyl;
EINECS:	203-001-6
Density:	1.022 g/cm³
Melting Point:	50 °C
Boiling Point:	288.7 °C at 760 mmHg
Flash Point:	117.3 °C
PSA:	3.24000
LogP:	3.31860

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Specification

The Dibemethine, with the CAS registry number 102-05-6, is also known as N-Methyl-N,N-dibenzylamine. Its EINECS registry number is 203-001-6. This chemical's molecular formula is C₁₅H₁₇N and molecular weight is 211.30218. Its IUPAC name is called N-benzyl-N-methyl-1-phenylmethanamine.

Physical properties of Dibemethine: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 2.59; (5)ACD/BCF (pH 7.4): 129.96; (6)ACD/KOC (pH 5.5): 15.48; (7)ACD/KOC (pH 7.4): 775.77; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 68.64 cm³; (12)Molar Volume: 206.7 cm³; (13)Surface Tension: 40.5 dyne/cm; (14)Density: 1.022 g/cm³; (15)Flash Point: 117.3 °C; (16)Enthalpy of Vaporization: 52.79 kJ/mol; (17)Boiling Point: 288.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00231 mmHg at 25°C.

Preparation: this chemical can be prepared by dibenzylamine and formaldehyde. This reaction will need reagent NaBH₃CN and solvent methanol. The yield is about 76%.

Uses of Dibemethine: it can be used to produce Methyldibenzylamin-N-oxid. This reaction will need reagent aq. H₂O₂.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(CC1=CC=CC=C1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
(3)InChIKey: WYZDCUGWXKHESN-UHFFFAOYSA-N