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N-Boc-D-proline

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Name

N-Boc-D-proline

EINECS N/A
CAS No. 140148-70-5 Density 1.201 g/cm3
PSA 66.84000 LogP 1.26590
Solubility Soluble in water (slightly). Melting Point 140-145°C
Formula C10H17NO4 Boiling Point 337.2 °C at 760 mmHg
Molecular Weight 215.249 Flash Point 157.7 °C
Transport Information N/A Appearance N/A
Safety 26-39-61 Risk Codes 41-50
Molecular Structure Molecular Structure of 140148-70-5 ((3S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxylic acid) Hazard Symbols Xi,N
Synonyms

(3S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxylicacid;(S)-3-Carboxypyrrolidine-1-carboxylic acid tert-butyl ester;(3S)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-pyrrolidinecarboxylic acid;(S)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxylic acid;

Article Data 9

N-Boc-D-proline Specification

The Boc-D-Proline , with cas registry number of 37784-17-1, is white to off-white microcrystalline powder. Its BRN registry number is 479316. This chemical belongs to classes of (1)Protected Amino Acids; (2)Pyrrole&Pyrrolidine&Pyrroline; (3)Amino Acids; (4)Proline [Pro, P]; (5)Boc-Amino Acids and Derivative; (6)Amino Acids (N-Protected); (7)Biochemistry; (8)Boc-Amino Acids; (9)Boc-Amino acid series. Its IUPAC name is called (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid . And its systematic name is called 1-(tert-butoxycarbonyl)-D-proline .

Physical properties about this chemical are: (1) ACD/LogP: 0.56 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/BCF (pH 5.5): 1 ; (4) ACD/BCF (pH 7.4): 1 ; (5) ACD/KOC (pH 5.5): 1.52 ; (6) ACD/KOC (pH 7.4): 1 ; (7) #H bond acceptors: 5 ; (8) #H bond donors: 1 ; (9) #Freely Rotating Bonds: 3 ; (10) Index of Refraction: 1.502 ; (11) Molar Refractivity: 52.93 cm3 ; (12) Molar Volume: 179.2 cm3 ; (13) Surface Tension: 47 dyne/cm ; (14) Density: 1.201 g/cm3 ; (15) Flash Point: 157.7 °C ; (16) Enthalpy of Vaporization: 63.79 kJ/mol ; (17) Boiling Point: 337.2 °C at 760 mmHg ; (18) Vapour Pressure: 2E-05 mmHg at 25°C; (19) Alpha: 60 o (c=2, acetic acid); (20) Refractive index: 60 ° (C=2, AcOH).

When you are using this chemical, please be cautious about it as the following:
This material may cause irritation to skin and eyes. So, avoid contact with skin and eyes. After use it, store it at temperature of -20°C.

In addition, you could convert the following data information into the molecular structure:
(1) SMILES:O=C(OC(C)(C)C)N1[C@@H](C(=O)O)CCC1;
(2) InChI:InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1;
(3) InChIKey:ZQEBQGAAWMOMAI-SSDOTTSWBN

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