(S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester supplier

Name
(S)-AMINO-(TETRAHYDRO-PYRAN-4-YL)-ACETIC ACID METHYL ESTER
EINECS
CAS No. 368866-32-4
Article Data16
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
Molecular Structure
Hazard Symbols
Synonyms (S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester;
PSA 61.55000
LogP 0.61360

(S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester Specification

The (S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester with the CAS number 368866-32-4 is also called 2H-Pyran-4-acetic acid,a-aminotetrahydro-, methyl ester,(aS)-. The systematic name is Methyl (2S)-amino(tetrahydro-2H-pyran-4-yl)acetate. Its molecular formula is C₈H₁₅NO₃.

The properties of the (S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester are: (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): 10.43; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 61.55 Å²; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 43.83 cm³; (12)Molar Volume: 156.7 cm³; (13)Polarizability: 17.37×10^-24cm³; (14)Surface Tension: 39.2 dyne/cm; (15)Enthalpy of Vaporization: 48.12 kJ/mol; (16)Vapour Pressure: 0.0309 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)[C@H](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/t7-/m0/s1
(3)InChIKey: GLXVKVOENRRZDF-ZETCQYMHBR

Product Name

(S)-AMINO-(TETRAHYDRO-PYRAN-4-YL)-ACETIC ACID METHYL ESTER

(S)-Amino(tetrahydropyran-4-yl)acetic acid methyl ester Specification

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