2-(tert-Butoxycarbonylamino)benzylamine supplier

Name
TERT-BUTYL2-(AMINOMETHYL)PHENYLCARBAMATE
EINECS
CAS No. 849020-94-6
Article Data2
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂O₂
Boiling Point 299.5 °C at 760 mmHg
Molecular Weight 222.287
Flash Point 134.9 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22-43
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, [2-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester (9CI);tert-ButylN-(2-aminomethylphenyl)carbamate;
PSA 64.35000
LogP 3.26560

2-(tert-Butoxycarbonylamino)benzylamine Specification

The 2-(tert-Butoxycarbonylamino)benzylamine is an organic compound with the formula C₁₂H₁₈N₂O₂. The systematic name of this chemical is tert-butyl [2-(aminomethyl)phenyl]carbamate. With the CAS registry number 849020-94-6, it is also named as Carbamic acid, N-[2-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester.

Physical properties about 2-(tert-Butoxycarbonylamino)benzylamine are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): -1.19; (3)ACD/LogD (pH 7.4): -0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.81; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 32.78 Å²; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 64.58 cm³; (14)Molar Volume: 198.4 cm³; (15)Polarizability: 25.6×10^-24cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.12 g/cm³; (18)Flash Point: 134.9 °C; (19)Enthalpy of Vaporization: 53.95 kJ/mol; (20)Boiling Point: 299.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1ccccc1CN
(2)InChI: InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
(3)InChIKey: BFFRNSYPZZUZDR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
(5)Std. InChIKey: BFFRNSYPZZUZDR-UHFFFAOYSA-N

Product Name

TERT-BUTYL2-(AMINOMETHYL)PHENYLCARBAMATE

2-(tert-Butoxycarbonylamino)benzylamine Specification

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