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222714-37-6

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Basic Information
CAS No.: 222714-37-6
Name: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester
Article Data: 7
Molecular Structure:
Molecular Structure of 222714-37-6 (Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester)
Formula: C10H13NO2
Molecular Weight: 179.219
Synonyms: 4-[(1S)-1-Aminoethyl]benzoic acid methyl ester;
Density: 1.089 g/cm3
Boiling Point: 281.5 °C at 760 mmHg
Flash Point: 140.5 °C
PSA: 52.32000
LogP: 2.19320
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  • High purity Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, Methyl Ester

  • Casno:

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  • Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester

  • Casno:

    222714-37-6

    Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester

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  • (S)-methyl 4-(1-aminoethyl)benzoate

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    222714-37-6

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  • methyl 4-[(1S)-1-aminoethyl]benzoate

  • Casno:

    222714-37-6

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  • (S)-4-(1-Amino-ethyl)-benzoic acid methyl ester

  • Casno:

    222714-37-6

    (S)-4-(1-Amino-ethyl)-benzoic acid methyl ester

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  • Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, Methyl Ester

  • Casno:

    222714-37-6

    Benzoic Acid, 4-[(1S)-1-Aminoethyl]-, Methyl Ester

    Min.Order: 0

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Specification

The 4-[(1S)-1-Aminoethyl]benzoic acid methyl ester with the cas number 222714-37-6 is also called Benzoic acid,4-[(1S)-1-aminoethyl]-, methyl ester. The systematic name is methyl 4-[(1S)-1-aminoethyl]benzoate. Its molecular formula is C10H13NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.32Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 51.11 cm3; (9)Molar Volume: 164.5 cm3; (10)Polarizability: 20.26×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 52.03 kJ/mol; (13)Vapour Pressure: 0.00354 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1ccc(cc1)C(=O)OC)N
(2)InChI: InChI=1/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1
(3)InChIKey: XSYGLHLLQZGWPT-ZETCQYMHBR