Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- supplier

Name
1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE
EINECS
CAS No. 166023-31-0
Article Data2
CAS DataBase
Density 1.028 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₁NO₂
Boiling Point 339.5 °C at 760 mmHg
Molecular Weight 235.32
Flash Point 187 °C
Transport Information
Appearance White or slightly yellow low melting solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoicacid, b-amino-, 1,1-dimethylethyl ester,(R)-;tert-Butyl (3R)-3-amino-4-phenylbutanoate;Benzenebutanoic acid, β-amino-, 1,1-dimethylethyl ester, (βR)-;3-Amino-4-phenyl-butyric acid tert-butyl ester;3R-Amino-4-phenyl-butyric acid tert-butyl ester;AC1LT3NL;CID1501867;D21851;1,1-Dimethylethyl (3R)-3-amino-4-phenylbutanoate;
PSA 52.32000
LogP 2.98850

Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- Specification

The Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- with CAS registry number of 166023-31-0 is also known as 3R-Amino-4-phenyl-butyric acid tert-butyl ester. The IUPAC name is tert-Butyl (3R)-3-amino-4-phenylbutanoate. It belongs to product categories of Pharmacetical. In addition, the formula is C₁₄H₂₁NO₂ and the molecular weight is 235.32. What's more, this chemical is a white or slightly yellow low melting solid and should be sealed in cool, dry place. During using it, avoid contact with skin and eyes.

Physical properties about Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 20.1; (6)ACD/KOC (pH 5.5): 3.75; (7)ACD/KOC (pH 7.4): 191.38; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 68.83 cm³; (13)Molar Volume: 228.8 cm³; (14)Surface Tension: 38.1 dyne/cm; (15)Density: 1.028 g/cm³; (16)Flash Point: 187 °C; (17)Enthalpy of Vaporization: 58.3 kJ/mol; (18)Boiling Point: 339.5 °C at 760 mmHg; (19)Vapour Pressure: 9.15E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)N
2. Isomeric SMILES: CC(C)(C)OC(=O)C[C@@H](CC1=CC=CC=C1)N
3. InChI: InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/t12-/m1/s1
4. InChIKey: ZIJHIHDFXCNFAA-GFCCVEGCSA-N

Product Name

1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE

Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bR)- Specification

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