β-Amino-4-hydroxybenzenepropanoic acid
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β-Amino-4-hydroxybenzenepropanoic acid
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CAS No:
6049-54-3
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Formula:
C9H11NO3
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Chemical Name:
β-Amino-4-hydroxybenzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,β-amino-4-hydroxy-;Hydrocinnamic acid,β-amino-p-hydroxy-;β-Amino-4-hydroxybenzenepropanoic acid;β-Tyrosine;3-Amino-3-(4-hydroxyphenyl)propanoic acid;3-Amino-3-(4-hydroxyphenyl)propionic acid;152786-26-0
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CAS No:
Description
ChEBI: A beta-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position.
Solid
3-amino-3-(4-hydroxyphenyl)propanoic acid is a beta-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position. It has a role as a bacterial metabolite. It derives from a propionic acid. It is a conjugate acid of a 3-amino-3-(4-hydroxyphenyl)propanoate. It is a tautomer of a 3-amino-3-(4-hydroxyphenyl)propanoic acid zwitterion.
Characteristics
83.55000
0.18
Solid
1.3±0.1 g/cm3
173.5-174.5 °C
378.7±32.0 °C at 760 mmHg
182.9±25.1 °C
1.613
Computed Properties
Molecular Weight:181.19
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:83.6
Heavy Atom Count:13
Complexity:176
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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β-Amino-4-hydroxybenzenepropanoic acid
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