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CAS No.: | 35761-26-3 |
---|---|
Name: | Cbz-beta-Amino-L-alanine |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C11H14N2O4 |
Molecular Weight: | 238.243 |
Synonyms: | (S)-2-(Benzyloxycarbonylamino)-3-aminopropionicacid;(S)-3-Amino-2-benzyloxycarbonylaminopropanoic acid;(S)-3-Amino-2-benzyloxycarbonylaminopropionicacid;2(S)-(Benzyloxycarbonylamino)-3-aminopropionic acid;Na-(Benzyloxycarbonyl)-L-a,b-diaminopropionic acid;Na-(Benzyloxycarbonyl)-b-amino-L-alanine; |
EINECS: | 1533716-785-6 |
Density: | 1.303 g/cm3 |
Melting Point: | 240oC (dec.) |
Boiling Point: | 463.8 °C at 760 mmHg |
Flash Point: | 234.3 °C |
Appearance: | White Solid |
Safety: | 22-24/25 |
PSA: | 101.65000 |
LogP: | 1.41590 |
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The CAS register number of Cbz-beta-Amino-L-alanine is 35761-26-3. It also can be called as Nalpha-Carbobenzyloxy-beta-amino-L-alanine and the IUPAC name about this chemical is 3-amino-2-(phenylmethoxycarbonylamino)propanoic acid. The molecular formula about this chemical is C11H14N2O4 and the molecular weight is 238.24. It belongs to the Amino Acids & Derivatives. This chemical is a important building block for the synthesis of peptides containing DAP residues, e.g. bleomycins, edeines, tuberactinomycins. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about Cbz-beta-Amino-L-alanine are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): -1.04; (3)ACD/LogD (pH 7.4): -1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 59.08Å2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 60.12 cm3; (14)Molar Volume: 182.7 cm3; (15)Polarizability: 23.83x10-24cm3; (16)Surface Tension: 57.9 dyne/cm; (17)Enthalpy of Vaporization: 76.4 kJ/mol; (18)Boiling Point: 463.8 °C at 760 mmHg; (19)Vapour Pressure: 2.12E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)CN
(2)InChI: InChI=1/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
(3)InChIKey: FOXRXVSTFGNURG-VIFPVBQEBK
(4)Std. InChI: InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m0/s1
(5)Std. InChIKey: FOXRXVSTFGNURG-VIFPVBQESA-N