Benzeneacetic acid, α-amino-2-methoxy-, (αS)- supplier

Name
(S)-AMINO-(2-METHOXY-PHENYL)-ACETIC ACID
EINECS
CAS No. 103889-86-7
Article Data6
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 343.9 °C at 760 mmHg
Molecular Weight 181.191
Flash Point 161.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-2-Methoxy-phenylglycine;
PSA 72.55000
LogP 1.47990

Benzeneacetic acid, α-amino-2-methoxy-, (αS)- Specification

The Benzeneacetic acid, α-amino-2-methoxy-, (αS)-, with the CAS registry number 103889-86-7, is also known as (S)-2-Methoxy-phenylglycine. It belongs to the product categories of Unusual amino acids; Pharmacetical. This chemical's molecular formula is C₉H₁₁NO₃ and molecular weight is 181.19. What's more, its systematic name is (2S)-amino(2-methoxyphenyl)ethanoic acid.

Physical properties of Benzeneacetic acid, α-amino-2-methoxy-, (αS)- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 47.58 cm³; (15)Molar Volume: 145.3 cm³; (16)Polarizability: 18.86×10^-24 cm³; (17)Surface Tension: 51.9 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 161.8 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 343.9 °C at 760 mmHg; (22)Vapour Pressure: 2.6E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](c1ccccc1OC)N
(2)InChI: InChI=1/C9H11NO3/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
(3)InChIKey: DQSACLYOIBPCJU-QMMMGPOBBN

Product Name

(S)-AMINO-(2-METHOXY-PHENYL)-ACETIC ACID

Benzeneacetic acid, α-amino-2-methoxy-, (αS)- Specification

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