Name: BOC-(S)-3-AMINO-5-PHENYL-PENTANOIC ACID
SKU: 218608-84-5

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Basic Information

CAS No.:

218608-84-5

Name:

BOC-(S)-3-AMINO-5-PHENYL-PENTANOIC ACID

Article Data:

Molecular Structure:

Formula:

C₁₆H₂₃NO₄

Molecular Weight:

293.363

Synonyms:

(3S)-3-[(tert-Butoxycarbonyl)amino]-5-phenylvalericacid;

Density:

1.121g/cm³

Boiling Point:

474.6°Cat760mmHg

Flash Point:

240.8°C

Safety:

Safety Statements

22-24/25

PSA:

75.63000

LogP:

3.37810

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Specification

The (S)-3-(Boc-amino)-5-phenylpentanoic acid with cas registry number of 218608-84-5, belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino. Its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]-5-phenylpentanoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 11.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 89.21; (8)ACD/KOC (pH 7.4): 1.47; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 79.72 cm³; (15)Molar Volume: 261.6 cm³; (16)Polarizability: 31.6×10^-24cm³; (17)Surface Tension: 42.7 dyne/cm; (18)Enthalpy of Vaporization: 77.74 kJ/mol; (19)Vapour Pressure: 8.18E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The (S)-3-(Boc-amino)-5-phenylpentanoic acid is irritant , so do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(C)(C)C)N[C@@H](CCc1ccccc1)CC(=O)O;
(2)InChI:InChI=1/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1;
(3)InChIKey:MYWZFJXOLAXENE-ZDUSSCGKBB;
(4)Std. InChI:InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1;
(5)Std. InChIKey:MYWZFJXOLAXENE-ZDUSSCGKSA-N.