CAS No.68621-88-5,N-BOC-M-PHENYLENEDIAMINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	68621-88-5
Name:	N-BOC-M-PHENYLENEDIAMINE
Article Data:	45

Formula:	C₁₁H₁₆N₂O₂
Molecular Weight:	208.26
Synonyms:	(3-Aminophenyl)carbamic acid, 1,1-dimethylethyl ester;Carbamic acid, (3-aminophenyl)-, 1,1-dimethylethyl ester (9CI);3-(tert-Butoxycarbonylamino)aniline, tert-Butyl-3-aminophenylcarbamate;
EINECS:	626-915-0
Density:	1.152 g/cm³
Melting Point:	109-110℃ (dichloromethane )
Boiling Point:	295.142 °C at 760 mmHg
Flash Point:	132.297 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	64.35000
LogP:	3.27000

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Specification

The CAS register number of (3-Amino-phenyl)-carbamic acid tert-butyl ester is 68621-88-5. It also can be called as (3-Aminophenyl)carbamic acid, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl (3-aminophenyl)carbamate. The molecular formula about this chemical is C₁₁H₁₆N₂O₂ and the molecular weight is 208.25694. It belongs to the following product categorie which include N-BOC. This chemical is harmful if swallowed.

Physical properties about (3-Amino-phenyl)-carbamic acid tert-butyl ester are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 14; (5)ACD/BCF (pH 7.4): 15; (6)ACD/KOC (pH 5.5): 220; (7)ACD/KOC (pH 7.4): 243; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.35 Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 60.37 cm³; (14)Molar Volume: 180.727 cm³; (15)Polarizability: 23.933x10^-24cm³; (16)Surface Tension: 46.116 dyne/cm; (17)Density: 1.152 g/cm³; (18)Flash Point: 132.297 °C; (19)Enthalpy of Vaporization: 53.483 kJ/mol; (20)Boiling Point: 295.142 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1cccc(N)c1
(2)InChI: InChI=1/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)
(3)InChIKey: IEUIEMIRUXSXCL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)
(5)Std. InChIKey: IEUIEMIRUXSXCL-UHFFFAOYSA-N