(S)-N-Boc-3-Amino-3-phenylpropanoic acid supplier

Name
(S)-N-Boc-3-Amino-3-phenylpropanoic acid
EINECS
CAS No. 103365-47-5
Article Data16
CAS DataBase
Density 1.158g/cm3
Solubility
Melting Point 122.9 °C
Formula C₁₄H₁₉NO₄
Boiling Point 423.2 °C at 760 mmHg
Molecular Weight 265.309
Flash Point 209.8 °C
Transport Information
Appearance white chunks
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanoicacid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-phenylpropionic acid;(S)-3-Phenyl-3-(Boc-amino)propionic acid;(S)-3-Phenyl-3-(tert-butoxycarbonylamino)propanoic acid;
PSA 75.63000
LogP 3.11800

(S)-N-Boc-3-Amino-3-phenylpropanoic acid Specification

The Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaS)-, with the CAS registry number 103365-47-5, is also known as (S)-N-Boc-beta-phenyl-beta-alanine. It belongs to the product categories of 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino. This chemical's molecular formula is C₁₄H₁₉NO₄ and formula weight is 265.30. What's more, its IUPAC name is called (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate. This chemical is white chunks. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.

Physical properties of Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-,(betaS)-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.76; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6 ; (12)Flash Point: 209.8 °C; (13)Melting Point: 122.9 °C; (14)Enthalpy of Vaporization: 71.43 kJ/mol; (15)Boiling Point: 423.2 °C at 760 mmHg; (16)Vapour Pressure: 6.42E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1
(2)InChI: InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/p-1/t11-/m0/s1
(3)InChIKey: JTNQFJPZRTURSI-FRNRPWJPBR

Product Name

(S)-N-Boc-3-Amino-3-phenylpropanoic acid

(S)-N-Boc-3-Amino-3-phenylpropanoic acid Specification

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