CAS No.226070-69-5,(3-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	226070-69-5
Name:	(3-HYDROXYMETHYL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
Article Data:	10

Formula:	C₁₃H₁₉NO₃
Molecular Weight:	237.299
Synonyms:	[3-(Hydroxymethyl)benzyl]carbamicacid tert-butyl ester;Carbamicacid, [[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester (9CI);
Density:	1.106 g/cm³
Melting Point:	51 °C
Boiling Point:	395.7 °C at 760 mmHg
Flash Point:	193.1 °C
Hazard Symbols:	Xn
Risk Codes:	20/22-36/37/38
Safety:	22-26-36/37/39
PSA:	58.56000
LogP:	2.59450

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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