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| CAS No.: | 140645-53-0 |
|---|---|
| Name: | 2-AMINOMETHYL-4-BOC-MORPHOLINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H20N2O3 |
| Molecular Weight: | 216.28 |
| Synonyms: | 2-Aminomethyl-4-(tert-butoxycarbonyl)morpholine;2-Aminomethylmorpholine-4-carboxylic acid tert-butyl ester; |
| Density: | 1.079 g/cm3 |
| Boiling Point: | 310.723 °C at 760 mmHg |
| Flash Point: | 141.72 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 45 |
| PSA: | 64.79000 |
| LogP: | 1.21920 |
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Specification
The 4-Boc-2-aminomethylmorpholine, with the cas registry number of 140645-53-0, has the systematic name of tert-butyl 2-(aminomethyl)morpholine-4-carboxylatato. Its product belongs to the category of Pharmacetical, and the molecular formula of the chemical is C10H20N2O3.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 64.79 Å2; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 56.66 cm3; (12)Molar Volume: 200.4 cm3; (13)Polarizability: 22.46×10-24cm3; (14)Surface Tension: 37.8 dyne/cm; (15)Density: 1.078 g/cm3; (16)Flash Point: 141.7 °C; (17)Enthalpy of Vaporization: 55.16 kJ/mol; (18)Boiling Point: 310.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000589 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(CN)OCC1
(2)InChI: InChI=1/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
(3)InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYAQ