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CAS No.: | 67341-01-9 |
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Name: | N-BOC-D/L-PHENYLGLYCINOL |
Article Data: | 83 |
Molecular Structure: | |
Formula: | C13H19NO3 |
Molecular Weight: | 237.299 |
Synonyms: | Carbamicacid, (2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester (9CI);(2-Hydroxy-1-phenylethyl)carbamic acid tert-butyl ester;2-(tert-Butoxycarbonylamino)-2-phenylethanol;N-Boc-D/L-Phenylglycinol;BOC-L-Phenylglycinol;tert-Butyl (2-hydroxy-2-phenylethyl)carbamate; |
Density: | 1.102 g/cm3 |
Melting Point: | 141.0 to 147.0 °C |
Boiling Point: | 389.433 °C at 760 mmHg |
Flash Point: | 189.322 °C |
PSA: | 58.56000 |
LogP: | 2.63560 |
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The Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester, with the CAS registry number 67341-01-9, is also known as N-Boc-D/L-Phenylglycinol. This chemical's molecular formula is C13H19NO3 and formula weight is 237.29. What's more, its systematic name is tert-butyl (2-hydroxy-2-phenylethyl)carbamate.
Physical properties of Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 35; (5)ACD/KOC (pH 5.5): 440; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 58.56 Å2; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 65.84 cm3; (12)Molar Volume: 215.385 cm3; (13)Surface Tension: 41.287 dyne/cm; (14)Density: 1.102 g/cm3; (15)Flash Point: 189.322 °C; (16)Enthalpy of Vaporization: 67.372 kJ/mol; (17)Boiling Point: 389.433 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCC(O)c1ccccc1
(2)InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-11(15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)
(3)InChIKey: FSRZPRRAZVZKFE-UHFFFAOYSA-N