CAS No.6622-55-5,N-BENZYLANTHRANILIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6622-55-5
Name:	N-BENZYLANTHRANILIC ACID
Article Data:	31
Cas Database

Formula:	C₁₄H₁₃NO₂
Molecular Weight:	227.263
Synonyms:	Anthranilicacid, N-benzyl- (7CI,8CI);2-(Benzylamino)benzoic acid;2-(N-Benzylamino)benzoic acid;2-(Phenylmethylamino)benzoic acid;N-Benzyl-o-aminobenzoic acid;N-Benzylanthranilic acid;NSC 54454;NSC 54640;
EINECS:	229-572-1
Density:	1.247 g/cm³
Melting Point:	177-179 °C
Boiling Point:	409.5 °C at 760 mmHg
Flash Point:	201.4 °C
Hazard Symbols:	Xi
Risk Codes:	22-36/37/38
Safety:	26
PSA:	49.33000
LogP:	3.06990

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Specification

The CAS register number of Benzoic acid,2-[(phenylmethyl)amino]- is 6622-55-5. It also can be called as 2-(N-Benzylamino)benzoic acid and the systematic name about this chemical is 2-(benzylamino)benzoic acid. The molecular formula about this chemical is C₁₄H₁₃NO₂ and the molecular weight is 227.26. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.

Physical properties about Benzoic acid,2-[(phenylmethyl)amino]- are: (1)ACD/LogP: 4.01; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 16.94; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 93.48; (7)ACD/KOC (pH 7.4): 3.73; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 67.27 cm³; (14)Molar Volume: 182.1 cm³; (15)Polarizability: 26.67x10^-24cm³; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.247 g/cm³; (18)Flash Point: 201.4 °C; (19)Enthalpy of Vaporization: 69.77 kJ/mol; (20)Boiling Point: 409.5 °C at 760 mmHg; (21)Vapour Pressure: 1.93E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzylamine and 2-chloro-benzoic acid. This reaction needs catalytic agent of CuI. This reaction will need reagent of K₃PO₄, ethylene glycol and solvent of butan-1-ol. The reaction time is 72 hours with reaction temperature of 100 °C. The yield is about 48%.

Uses of Benzoic acid,2-[(phenylmethyl)amino]-: it can be used to produce 5,11-dibenzyl-5H,11H-dibenzo[b,f][1,5]diazocine-6,12-dione. This reaction will need reagent of POCl₃. The reaction time is 24 hours with reaction temperature of 120 °C. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccccc2NCc1ccccc1
(2)InChI: InChI=1/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
(3)InChIKey: JGQKORRBYIBYOF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
(5)Std. InChIKey: JGQKORRBYIBYOF-UHFFFAOYSA-N