CAS No.36061-08-2,D-2-AMINO-5-PHENYL-PENTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36061-08-2
Name:	D-2-AMINO-5-PHENYL-PENTANOIC ACID
Article Data:	3

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	Benzenepentanoicacid, a-amino-, (R)-;(R)-2-Amino-5-phenylpentanoic acid;(R)-a-Aminobenzenepentanoicacid;D-2-Amino-5-phenylvaleric acid;
Density:	1.133g/cm³
Boiling Point:	375.2 °C at 760 mmHg
Flash Point:	180.7 °C
PSA:	63.32000
LogP:	2.12150

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Specification

The D-2-Amino-5-phenylpentanoic acid with cas registry number of 36061-08-2, has the systematic name of 5-phenylnorvaline. And it is also named benzenepentanoic acid, alpha-amino-.

Physical properties about this chemical are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): -0.69; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 54.75 cm³; (15)Molar Volume: 170.4 cm³; (16)Polarizability: 21.7×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Enthalpy of Vaporization: 65.69 kJ/mol ; (19)Boiling Point: 375.2 °C at 760 mmHg; (20)Vapour Pressure: 2.69E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCCc1ccccc1;
(2)InChI: InChI=1/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14);
(3)InChIKey: XOQZTHUXZWQXOK-UHFFFAOYAA;
(4)Std. InChI: InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14);
(5)Std. InChIKey: XOQZTHUXZWQXOK-UHFFFAOYSA-N