tert-Butyl 3-aminobenzylcarbamate supplier

Name
tert-Butyl 3-aminobenzylcarbamate
EINECS 200-110-4
CAS No. 147291-66-5
Article Data28
CAS DataBase
Density 1.095 g/cm³
Solubility
Melting Point 48.0 to 56.0 °C
Formula C₁₂H₁₈N₂O₂
Boiling Point 386.028 °C at 760 mmHg
Molecular Weight 222.287
Flash Point 187.263 °C
Transport Information
Appearance White to off-white powder
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-tert-Butoxycarbonylaminomethylaniline;tert-Butyl 3-aminobenzylcarbamate;Carbamicacid, [(3-aminophenyl)methyl]-, 1,1-dimethylethyl ester (9CI);(3-Aminobenzyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl3-aminobenzylcarbamate;1,1-Dimethylethyl [(3-aminophenyl)methyl]carbamate;
PSA 64.35000
LogP 3.26560

tert-Butyl 3-aminobenzylcarbamate Specification

The cas register number of tert-Butyl 3-aminobenzylcarbamate is 147291-66-5. It also can be called as carbamic acid, N-[(3-aminophenyl)methyl]-, 1,1-dimethylethyl ester and the Systematic name about this chemical is tert-butyl N-[(3-aminophenyl)methyl]carbamate.

Physical properties about tert-Butyl 3-aminobenzylcarbamate are: (1)ACD/LogP: 1.13 ; (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): 9 ; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 169; (8)ACD/KOC (pH 7.4): 179; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.35Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 63.905 cm³; (15)Molar Volume: 202.904 cm³; (16)Surface Tension: 42.028 dyne/cm; (17)Density: 1.095 g/cm³; (18)Flash Point: 187.263 °C; (19)Enthalpy of Vaporization: 63.491 kJ/mol; (20)Boiling Point: 386.028 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC(C)(C)C)NCc1cc(N)ccc1
2.InChI: InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15)
3.InChIKey: LSOZALWRNWQPLK-UHFFFAOYAK
4.Std. InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3,(H,14,15).

Product Name

tert-Butyl 3-aminobenzylcarbamate

tert-Butyl 3-aminobenzylcarbamate Specification

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