CAS No.18613-55-3,N,N-Dibenzyl-p-anisidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18613-55-3
Name:	N,N-Dibenzyl-p-anisidine
Article Data:	44

Formula:	C₂₁H₂₁NO
Molecular Weight:	303.404
Synonyms:	Dibenzylamine,N-(p-methoxyphenyl)- (8CI);p-Anisidine, N,N-dibenzyl- (7CI);N,N-Dibenzyl-4-methoxyaniline;N,N-Dibenzyl-p-anisidine;
EINECS:	242-447-6
Density:	1.112 g/cm³
Boiling Point:	470.2 °C at 760 mmHg
Flash Point:	136.8 °C
Hazard Symbols:	N
Risk Codes:	22-50/53
PSA:	12.47000
LogP:	4.90200

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Specification

The CAS register number of N,N-Dibenzyl-p-anisidine is 18613-55-3. It also can be called as Benzenemethanamine,N-(4-methoxyphenyl)-N-(phenylmethyl)- and the systematic name about this chemical is N,N-dibenzyl-4-methoxyaniline. The molecular formula about this chemical is C₂₁H₂₁NO and the molecular weight is 303.40. This chemical is harmful if swallowed and it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.

Physical properties about N,N-Dibenzyl-p-anisidine are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.12; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4526.35; (6)ACD/BCF (pH 7.4): 4872.13; (7)ACD/KOC (pH 5.5): 14098.43; (8)ACD/KOC (pH 7.4): 15175.44; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47Å²; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 96.21 cm³; (14)Molar Volume: 272.8 cm³; (15)Polarizability: 38.14x10^-24cm³; (16)Surface Tension: 45.9 dyne/cm; (17)Enthalpy of Vaporization: 73.27 kJ/mol; (18)Boiling Point: 470.2 °C at 760 mmHg; (19)Vapour Pressure: 5.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(N(Cc1ccccc1)Cc2ccccc2)cc3)C
(2)InChI: InChI=1/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
(3)InChIKey: CFNHDBSFANUKKQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3
(5)Std. InChIKey: CFNHDBSFANUKKQ-UHFFFAOYSA-N