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CAS No.: | 144072-29-7 |
---|---|
Name: | BOC-4-AMINOBENZYLALCOHOL |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C12H17NO3 |
Molecular Weight: | 223.272 |
Synonyms: | 4-(tert-Butoxycarbonylamino)benzyl alcohol; |
Density: | 1.161 g/cm3 |
Melting Point: | 74-76 °C |
Boiling Point: | 310.049 °C at 760 mmHg |
Flash Point: | 141.313 °C |
PSA: | 58.56000 |
LogP: | 2.59890 |
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The tert-Butyl[4-(hydroxymethyl)phenyl]carbamate, with the CAS registry number 144072-29-7, is also known as 4-(tert-Butoxycarbonylamino)benzyl alcohol. This chemical's molecular formula is C12H17NO3 and molecular weight is 223.27. What's more, its IUPAC name is tert-Butyl N-[4-(hydroxymethyl)phenyl]carbamate.
Physical properties about tert-Butyl[4-(hydroxymethyl)phenyl]carbamate are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 231; (8)ACD/KOC (pH 7.4): 231; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 62.586 cm3; (15)Molar Volume: 192.263 cm3; (16)Polarizability: 24.811×10-24 cm3; (17)Surface Tension: 45.255 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 141.313 °C; (20)Enthalpy of Vaporization: 58.162 kJ/mol; (21)Boiling Point: 310.049 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)Nc1ccc(cc1)CO
(2) InChI: InChI=1/C12H17NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
(3) InChIKey: YQKDTZYYROHLMB-UHFFFAOYAW