4-Boc-2-aminomethylmorpholine supplier

Name
2-AMINOMETHYL-4-BOC-MORPHOLINE
EINECS
CAS No. 140645-53-0
Article Data3
CAS DataBase
Density 1.079 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₃
Boiling Point 310.723 °C at 760 mmHg
Molecular Weight 216.28
Flash Point 141.72 °C
Transport Information
Appearance
Safety 45
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Aminomethyl-4-(tert-butoxycarbonyl)morpholine;2-Aminomethylmorpholine-4-carboxylic acid tert-butyl ester;
PSA 64.79000
LogP 1.21920

4-Boc-2-aminomethylmorpholine 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

Product Name

2-AMINOMETHYL-4-BOC-MORPHOLINE

4-Boc-2-aminomethylmorpholine Specification

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