(S)-Methyl N-tert-butoxycarbonyl-3-(4-biphenylyl)-2-aminopropionate supplier

Name
(S)-METHYL N-TERT-BUTOXYCARBONYL-3-(4-BIPHENYLYL)-2-AMINOPROPIONATE
EINECS
CAS No. 137255-86-8
Article Data10
CAS DataBase
Density 1.113 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₅NO₄
Boiling Point 508.6 °C at 760 mmHg
Molecular Weight 355.434
Flash Point 261.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl N-tert-butoxycarbonyl-(S)-(4-biphenylyl)alaninate;(S)-2-tert-Butoxycarbonylamino-3-(biphenyl-4-yl)propionicacid methyl ester;
PSA 64.63000
LogP 4.35330

(S)-Methyl N-tert-butoxycarbonyl-3-(4-biphenylyl)-2-aminopropionate Specification

The CAS registry number of [1,1'-Biphenyl]-4-propanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (aS)- is 137255-86-8. In addition, the molecular formula is C₂₁H₂₅NO₄ and the molecular weight is 355.43. Its systematic name is methyl (2S)-3-(biphenyl-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoate(non-preferred name). What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about [1,1'-Biphenyl]-4-propanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (aS)- are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 4747; (5)ACD/BCF (pH 7.4): 4746; (6)ACD/KOC (pH 5.5): 14899; (7)ACD/KOC (pH 7.4): 14895; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 64.63 Å²; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 99.893 cm³; (14)Molar Volume: 319.288 cm³; (15)Polarizability: 39.601 ×10^-24cm³; (16)Surface Tension: 40.531 dyne/cm; (17)Density: 1.113 g/cm³; (18)Flash Point: 261.42 °C; (19)Enthalpy of Vaporization: 77.901 kJ/mol; (20)Boiling Point: 508.646 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC)Cc1ccc(cc1)c2ccccc2
(2)Std. InChI: InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)22-18(19(23)25-4)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,22,24)/t18-/m0/s1
(3)Std. InChIKey: XJFJKCSCNLXBCY-SFHVURJKSA-N

Product Name

(S)-METHYL N-TERT-BUTOXYCARBONYL-3-(4-BIPHENYLYL)-2-AMINOPROPIONATE

(S)-Methyl N-tert-butoxycarbonyl-3-(4-biphenylyl)-2-aminopropionate Specification

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