tert-Butyl[4-(hydroxymethyl)phenyl]carbamate supplier

Name
BOC-4-AMINOBENZYLALCOHOL
EINECS
CAS No. 144072-29-7
Article Data33
CAS DataBase
Density 1.161 g/cm³
Solubility
Melting Point 74-76 °C
Formula C₁₂H₁₇NO₃
Boiling Point 310.049 °C at 760 mmHg
Molecular Weight 223.272
Flash Point 141.313 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(tert-Butoxycarbonylamino)benzyl alcohol;
PSA 58.56000
LogP 2.59890

tert-Butyl[4-(hydroxymethyl)phenyl]carbamate Specification

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^-24cm³; (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

Product Name

BOC-4-AMINOBENZYLALCOHOL

tert-Butyl[4-(hydroxymethyl)phenyl]carbamate Specification

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