-
Name
3-(AMINOMETHYL)-1-N-BOC-ANILINE
- EINECS
- CAS No. 205318-52-1
- Article Data2
- CAS DataBase
- Density 1.12 g/cm3
- Solubility
- Melting Point 135-138°C
- Formula C12H18N2O2
- Boiling Point 299.5 °C at 760 mmHg
- Molecular Weight 222.287
- Flash Point 134.9 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- 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;
- PSA 64.35000
- LogP 3.26560
Carbamicacid, N-[3-(aminomethyl)phenyl]-, 1,1-dimethylethyl ester Specification
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
Related Products
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