CAS No.205318-52-1,3-(AMINOMETHYL)-1-N-BOC-ANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	205318-52-1
Name:	3-(AMINOMETHYL)-1-N-BOC-ANILINE
Article Data:	2

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

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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