CAS No.1205-02-3,N-BENZOYL-DL-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1205-02-3
Name:	N-BENZOYL-DL-ALANINE
Article Data:	61

Formula:	C₁₀H₁₁NO₃
Molecular Weight:	193.202
Synonyms:	Alanine,N-benzoyl-, DL- (6CI,7CI,8CI);Benzoyl-DL-alanine;DL-N-Benzoylalanine;N-Benzoyl-DL-alanine;NSC 8069;
EINECS:	214-879-5
Density:	1.224 g/cm³
Melting Point:	165-167°C
Boiling Point:	452.3 °C at 760 mmHg
Flash Point:	227.4 °C
Solubility:	soluble in ethanol, not soluble in chloroform
Appearance:	White crystal
PSA:	66.40000
LogP:	1.28040

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Specification

This chemical is called Alanine, N-benzoyl-, and its systematic name is N-benzoylalanine. With the molecular formula of C₁₀H₁₁NO₃, its molecular weight is 193.20. The CAS registry number of this chemical is 1205-02-3. Additionally, it should be stored at -20°C.

Other characteristics of the Alanine, N-benzoyl- can be summarised as followings: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -2.8; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 50.66 cm³; (15)Molar Volume: 157.7 cm³; (16)Polarizability: 20.08×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 227.4 °C; (20)Enthalpy of Vaporization: 74.98 kJ/mol; (21)Boiling Point: 452.3 °C at 760 mmHg; (22)Vapour Pressure: 5.7E-09 mmHg at 25°C.

Production method of this chemical: The Alanine, N-benzoyl- could be obtained by the reactants of benzoyl chloride and alanine. This reaction needs the reagents of diisopropylethylamine (DIEA), NaOH, and the solvent of H₂O. The yield is 72 %.

The Alanine, N-benzoyl- could be obtained by the reactants of benzoyl chloride and alanine

Uses of this chemical: The Alanine, N-benzoyl- could react with acetic acid anhydride, and obtain the 3-benzoylamino-butan-2-one. This reaction needs the reagents of triethylamine, 4-dimethylaminopyridine and glacial AcOH. The yield is 78 %.

The Alanine, N-benzoyl- could react with acetic acid anhydride, and obtain the 3-benzoylamino-butan-2-one

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)O)C)c1ccccc1
2.InChI: InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
3.InChIKey: UAQVHNZEONHPQG-UHFFFAOYAS