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Carbamic acid,N-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

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Name

Carbamic acid,N-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

EINECS N/A
CAS No. 226070-69-5 Density 1.106 g/cm3
PSA 58.56000 LogP 2.59450
Solubility N/A Melting Point 51 °C
Formula C13H19NO3 Boiling Point 395.7 °C at 760 mmHg
Molecular Weight 237.299 Flash Point 193.1 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/22-36/37/38
Molecular Structure Molecular Structure of 226070-69-5 ((3-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER) Hazard Symbols Xn
Synonyms

[3-(Hydroxymethyl)benzyl]carbamicacid tert-butyl ester;Carbamicacid, [[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester (9CI);

Article Data 10

Carbamic acid,N-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C13H19NO3. The systematic name of this chemical is tert-butyl [3-(hydroxymethyl)benzyl]carbamate. With the CAS registry number 226070-69-5, it is also named as (3-Hydroxymethyl-benzyl)-carbamic acid tert-butyl ester.

Physical properties about Carbamic acid,N-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester are: (1)D/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.7; (5)ACD/BCF (pH 7.4): 11.7; (6)ACD/KOC (pH 5.5): 202.47; (7)ACD/KOC (pH 7.4): 202.47; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 66.12 cm3; (14)Molar Volume: 214.4 cm3; (15)Polarizability: 26.21×10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 193.1 °C; (19)Enthalpy of Vaporization: 68.12 kJ/mol; (20)Boiling Point: 395.7 °C at 760 mmHg; (21)Vapour Pressure: 5.7E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1cccc(c1)CO
(2)InChI: InChI=1/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
(3)InChIKey: QNDFFICIIGQGDV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
(5)Std. InChIKey: QNDFFICIIGQGDV-UHFFFAOYSA-N

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