CAS No.100564-78-1,Boc-L-homophenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100564-78-1
Name:	Boc-L-homophenylalanine
Article Data:	24

Formula:	C₁₅H₂₁NO₄
Molecular Weight:	279.336
Synonyms:	Benzenebutanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(S)-2-[(tert-Butoxycarbonyl)amino]-4-phenylbutanoic acid;2(S)-(tert-Butoxycarbonylamino)-4-phenylbutanoic acid;2-tert-Butoxycarbonylamino-4-(S)-phenylbutyric acid;N-tert-Butoxycarbonyl-L-homophenylalanine;(2S)-2-[(tert-Butoxycarbonyl)amino]-4-phenylbutanoic acid;(S)-2-(Boc-amino)-4-phenylbutyric acid;
Density:	1.139 g/cm³
Melting Point:	76-80 °C
Boiling Point:	439.6 °C at 760 mmHg
Flash Point:	219.7 °C
Hazard Symbols:	Xi
Safety:	22-24/25
PSA:	75.63000
LogP:	2.98800

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Specification

The Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)-, with the CAS registry number 100564-78-1, is also known as (S)-2-(Boc-amino)-4-phenylbutyric acid. It belongs to the product categories of Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Protected Amino Acid & Peptides; Amino Acids. This chemical's molecular formula is C₁₅H₂₁NO₄ and molecular weight is 279.34. What's more, its systematic name is (2S)-2-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid. You should not breathe dust. When using it, you must avoid contact with eyes. It should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.97; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 75.09 cm³; (15)Molar Volume: 245.1 cm³; (16)Polarizability: 29.76×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 219.7 °C; (20)Enthalpy of Vaporization: 73.42 kJ/mol; (21)Boiling Point: 439.6 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCc1ccccc1
(2)Std. InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(13(17)18)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
(3)Std. InChIKey: MCODLPJUFHPVQP-LBPRGKRZSA-N