-
Name
N-BOC-D/L-PHENYLGLYCINOL
- EINECS
- CAS No. 67341-01-9
- Article Data83
- CAS DataBase
- Density 1.102 g/cm3
- Solubility
- Melting Point 141.0 to 147.0 °C
- Formula C13H19NO3
- Boiling Point 389.433 °C at 760 mmHg
- Molecular Weight 237.299
- Flash Point 189.322 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 58.56000
- LogP 2.63560
Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester Specification
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
Related Products
- Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI)
- Carbamicacid, [2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester,(S)- (9CI)
- Carbamicacid, [2-hydroxy-6-(4-morpholinyl)phenyl]-, ethyl ester (9CI)
- Carbamicacid, [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,1,1-dimethylethyl ester (9CI)
- Carbamicacid, N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-(2-aminoethyl)-N-methyl-, phenylmethyl ester
- Carbamicacid, N-(2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
- Carbamicacid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethylester
- Carbamicacid, N-[(3-formylphenyl)methyl]-, 1,1-dimethylethyl ester
- Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester
- 67341-27-9
- 67341-42-8
- 67341-70-2
- 67342-76-1
- 6734-33-4
- 67344-77-8
- 673451-39-3
- 673-46-1
- 67346-58-1
- 673475-74-6
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