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| CAS No.: | 6216-63-3 |
|---|---|
| Name: | (S)-1-CBZ-2-HYDROXYMETHYLPYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C13H17NO3 |
| Molecular Weight: | 235.283 |
| Synonyms: | 1-Pyrrolidinecarboxylicacid, 2-(hydroxymethyl)-, benzyl ester, L- (8CI);1-Pyrrolidinecarboxylic acid,2-(hydroxymethyl)-, phenylmethyl ester, (S)-;(S)-2-Hydroxymethylpyrrolidine-1-carboxylic acid benzyl ester;(S)-N-Cbz-prolinol;Benzyl (2S)-2-(hydroxymethyl)-1-pyrrolidinecarboxylate;Carbobenzyloxy-L-prolinol;N-Benzyloxycarbonyl-L-prolinol;N-Carbobenzyloxy-L-prolinol;Z-Prolinol; |
| Density: | 1.196 g/cm3 |
| Boiling Point: | 381.969 °C at 760 mmHg |
| Flash Point: | 184.809 °C |
| PSA: | 49.77000 |
| LogP: | 1.71780 |
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Specification
The N-Cbz-L-prolinol, with CAS registry number 6216-63-3, belongs to the following product category: Pharmacetical. It has the systematic name of 3,5-diiodo-L-tyrosine. Besides this, it is also called Tyrosine, 3,5-diiodo-, DL-. And the chemical formula of this chemical is C13H17NO3.
Physical properties of N-Cbz-L-prolinol: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 73.18 cm3; (15)Molar Volume: 180 cm3; (16)Polarizability: 29.01×10-24cm3; (17)Surface Tension: 79.8 dyne/cm; (18)Enthalpy of Vaporization: 69.9 kJ/mol; (19)Vapour Pressure: 1.78E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
(3)InChIKey: NYPYHUZRZVSYKL-ZETCQYMHBZ
(4)Std. InChI: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
(5)Std. InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N