CAS No.40638-98-0,N-ACETYL-DL-BETA-PHENYLALANINE* Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40638-98-0
Name:	N-ACETYL-DL-BETA-PHENYLALANINE*
Article Data:	9

Formula:	C₁₁H₁₃NO₃
Molecular Weight:	207.229
Synonyms:	Hydrocinnamicacid, b-acetamido- (7CI);N-Acetyl-b-phenyl-b-alanine;
Density:	1.197 g/cm³
Boiling Point:	449.2 °C at 760 mmHg
Flash Point:	225.5 °C
PSA:	66.40000
LogP:	1.72940

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Specification

The CAS register number of Benzenepropanoicacid, β-(acetylamino)- is 40638-98-0. It also can be called as N-Acetyl-3-Phenyl-DL-β-alanine and the IUPAC name about this chemical is 3-acetamido-3-phenylpropanoic acid. The molecular formula about this chemical is C₁₁H₁₃NO₃ and the molecular weight is 207.22582.

Physical properties about Benzenepropanoicacid, β-(acetylamino)- are: (1)ACD/LogP: 0.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.68; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.61Å²; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 54.89 cm³; (12)Molar Volume: 173 cm³; (13)Polarizability: 21.76x10^-24cm³; (14)Surface Tension: 48.4 dyne/cm; (15)Enthalpy of Vaporization: 74.6 kJ/mol; (16)Boiling Point: 449.2 °C at 760 mmHg; (17)Vapour Pressure: 7.44E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(NC(=O)C)c1ccccc1
(2)InChI: InChI=1/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
(3)InChIKey: HTWAFOFDKZAKQP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
(5)Std. InChIKey: HTWAFOFDKZAKQP-UHFFFAOYSA-N