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Basic Information
CAS No.: 131690-56-7
Name: (S)-3-AMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 131690-56-7 ((S)-3-AMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID)
Formula: C10H13NO3
Molecular Weight: 195.22
Synonyms: Benzenepropanoicacid, b-amino-4-methoxy-, (S)-;(S)-b-Amino-b-(4-methoxyphenyl)propionic acid;
Density: 1.206 g/cm3
Boiling Point: 356.391 °C at 760 mmHg
Flash Point: 169.339 °C
PSA: 72.55000
LogP: 1.87000
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Chemistry

IUPAC Name: 3-Amino-3-(4-methoxyphenyl)propanoic acid
Synonyms of (S)-3-Amino-3-(4-methoxyphenyl)propionic acid (CAS NO.131690-56-7): (3S)-3-Amino-3-(4-methoxyphenyl)propanoic acid ; (S)-3-(p-Methoxyphenyl)-beta-alanine
CAS NO: 131690-56-7
Molecular Formula: C10H13NO3
Molecular Weight: 195.21
Molecular Structure:
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 38.77 Å2
Index of Refraction: 1.558
Molar Refractivity: 52.21 cm3
Molar Volume: 161.8 cm3
Surface Tension: 49.7 dyne/cm
Density: 1.206 g/cm3
Flash Point: 169.3 °C
Enthalpy of Vaporization: 63.49 kJ/mol
Boiling Point: 356.4 °C at 760 mmHg
Vapour Pressure: 1.07E-05 mmHg at 25°C
SMILES: O=C(O)C[C@@H](c1ccc(OC)cc1)N
InChI: InChI=1/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey: NYTANCDDCQVQHG-VIFPVBQEBQ
Std. InChI: InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Std. InChIKey: NYTANCDDCQVQHG-VIFPVBQESA-N