Products Categories
CAS No.: | 205318-52-1 |
---|---|
Name: | 3-(AMINOMETHYL)-1-N-BOC-ANILINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H18N2O2 |
Molecular Weight: | 222.287 |
Synonyms: | Carbamicacid, [3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester (9CI);(3-Aminomethylphenyl)carbamic acid tert-butyl ester;3-(Aminomethyl)-N-(tert-butoxycarbonyl)aniline;tert-ButylN-(3-aminomethylphenyl)carbamate;tert-Butyl [3-(aminomethyl)phenyl]carbamate; |
Density: | 1.12 g/cm3 |
Melting Point: | 135-138°C |
Boiling Point: | 299.5 °C at 760 mmHg |
Flash Point: | 134.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 64.35000 |
LogP: | 3.26560 |
What can I do for you?
Get Best Price
The CAS register number of Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester is 205318-52-1. It also can be called as (3-Aminomethyl-phenyl)-carbamic acid tert-butyl ester and the systematic name about this chemical is tert-butyl [3-(aminomethyl)phenyl]carbamate. The molecular formula about this chemical is C12H18N2O2 and the molecular weight is 222.28.
Physical properties about Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): -1.18; (3)ACD/LogD (pH 7.4): -0.16; (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): 2.31; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 32.78Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 64.58 cm3; (14)Molar Volume: 198.4 cm3; (15)Polarizability: 25.6x10-24cm3; (16)Surface Tension: 43.9 dyne/cm; (17)Enthalpy of Vaporization: 53.95 kJ/mol; (18)Boiling Point: 299.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00119 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1cc(ccc1)CN
(2)InChI: InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
(3)InChIKey: NXQNEOIMZVWHQW-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
(5)Std. InChIKey: NXQNEOIMZVWHQW-UHFFFAOYSA-N