5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-, (4S)- supplier

Name
5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-,(4S)-(9CI)
EINECS
CAS No. 738570-00-8
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₈H₁₄N₂O₂
Boiling Point 234.3 °C at 760 mmHg
Molecular Weight 170.21
Flash Point 95.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4S)-2-(Aminomethyl)-4-isobutyl-1,3-oxazol-5(4H)-one;2-(Aminomethyl)-4-(2-methylpropyl)-(4S)-5(4H)-oxazolone;(4S)-2-(aminomethyl)-4-(2-methylpropyl)-1,3-oxazolin-5-one;
PSA 64.68000
LogP 0.45100

5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-, (4S)- Specification

The 5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-, (4S)-, with the CAS registry number 738570-00-8, is also known as (4S)-2-(Aminomethyl)-4-(2-methylpropyl)-1,3-oxazolin-5-one. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C₈H₁₄N₂O₂ and molecular weight is 170.21. What's more, its systematic name is (4S)-2-(Aminomethyl)-4-isobutyl-1,3-oxazol-5(4H)-one.

Physical properties of 5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-, (4S)- are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.05; (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): 17.17; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.68 Å²; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 43.7 cm³; (14)Molar Volume: 136.2 cm³; (15)Polarizability: 17.32×10^-24 cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 95.5 °C; (19)Enthalpy of Vaporization: 47.1 kJ/mol; (20)Boiling Point: 234.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0534 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C[C@H]1C(=O)OC(=N1)CN
(2)InChI: InChI=1/C8H14N2O2/c1-5(2)3-6-8(11)12-7(4-9)10-6/h5-6H,3-4,9H2,1-2H3/t6-/m0/s1
(3)InChIKey: MWOBPLZDKMCEHI-LURJTMIEBM

Product Name

5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-,(4S)-(9CI)

5(4H)-Oxazolone,2-(aminomethyl)-4-(2-methylpropyl)-, (4S)- Specification

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