-
Name
(R)-AMINO-(TETRAHYDRO-PYRAN-4-YL)-ACETIC ACID METHYL ESTER
- EINECS
- CAS No. 871301-35-8
- Article Data23
- CAS DataBase
- Density 1.104 g/cm3
- Solubility
- Melting Point
- Formula C8H15NO3
- Boiling Point 244.1 °C at 760 mmHg
- Molecular Weight 173.212
- Flash Point 94.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms (R)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester;Methyl amino(tetrahydro-2H-pyran-4-yl)acetate;
- PSA 61.55000
- LogP 0.61360
(R)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester Specification
The systematic name of (R)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester is Methyl 2-amino-2-tetrahydropyran-4-yl-acetate. With the CAS registry number 871301-35-8, it is also named as 2H-Pyran-4-acetic acid,a-aminotetrahydro-, methyl ester,(aR)-. In addition, its molecular formula is C8H15NO3 and its molecular weight is 173.21.
The other characteristics of (R)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester can be summarized as: (1)Nominal mass: 173; (2)Average mass: 173.2096; (3)Monoisotopic mass: 173.105193; (4)H bond acceptors: 4; (5)H bond donors: 2; (6)Freely Rotating Bonds: 4; (7)Polar Surface Area: 61.55 Å2; (8)Index of Refraction: 1.471; (9)Molar Refractivity: 43.83 cm3; (10)Molar Volume: 156.7 cm3; (11)Polarizability: 17.37×10-24cm3; (12)Surface Tension: 39.2 dyne/cm; (13)Density: 1.104 g/cm3; (14)Flash Point: 94.5 °C; (15)Enthalpy of Vaporization: 48.12 kJ/mol; (16)Boiling Point: 244.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0309 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:COC(=O)C(C1CCOCC1)N
(2)InChI:InChI=1/C8H15NO3/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3
(3)InChIKey:GLXVKVOENRRZDF-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C8H15NO3/c1-11-8(10)7(9)6-2-4-12-5-3-6/h6-7H,2-5,9H2,1H3
(5)Std. InChIKey:GLXVKVOENRRZDF-UHFFFAOYSA-N
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