N-Acetyl-L-phenylalanine
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N-Acetyl-L-phenylalanine
structure -
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CAS No:
2018-61-3
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Formula:
C11H13NO3
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Chemical Name:
N-Acetyl-L-phenylalanine
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Synonyms:
L-Phenylalanine,N-acetyl-;Alanine,N-acetyl-3-phenyl-,L-;N-Acetyl-L-phenylalanine;L-N-Acetylphenylalanine;Acetyl-L-phenylalanine;N-Acetylphenylalanine;Acetylphenylalanine;N-Acetyl-(S)-phenylalanine;(+)-N-Acetylphenylalanine;L-(+)-N-Acetylphenylalanine;(S)-2-(Acetylamino)-3-phenylpropanoic acid;(+)-N-Acetyl-L-phenylalanine;NSC 45699;(2S)-2-(Acetylamino)-3-phenylpropanoic acid;(2S)-2-Acetamido-3-phenylpropanoic acid;(S)-2-Acetamido-3-phenylpropanoic acid
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CAS No:
Description
white to off-white fine cryst. powder or needles
Solid
N-acetyl-L-phenylalanine is the N-acetyl derivative of L-phenylalanine. It has a role as a metabolite. It is a N-acyl-L-phenylalanine, a N-acetyl-L-amino acid and a N-acetylphenylalanine. It is a conjugate acid of a N-acetyl-L-phenylalaninate. It is an enantiomer of a N-acetyl-D-phenylalanine.
Characteristics
66.4
0.6
White to off-white Fine Crystalline Powder or Needles
1.2±0.1 g/cm3
171-173 °C
453.9°C at 760 mmHg
228.3±26.8 °C
1.548
Solubility in methanol (almost transparency). soluble in acetone and ethanol (20 mg/ ml).
-20°C
4.96E-09mmHg at 25°C
40 º (c=1,methanol)
149.8 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|144.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|147.1 Ų [M-H]-
Safety Information
NONH for all modes of transport
3
24/25
Stable under normal temperatures and pressures.
Computed Properties
Molecular Weight:207.23
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:207.08954328
Monoisotopic Mass:207.08954328
Topological Polar Surface Area:66.4
Heavy Atom Count:15
Complexity:234
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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