N-Acetyl-L-alanine
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N-Acetyl-L-alanine
structure -
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CAS No:
97-69-8
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Formula:
C5H9NO3
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Chemical Name:
N-Acetyl-L-alanine
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Synonyms:
L-Alanine,N-acetyl-;Alanine,N-acetyl-,L-;N-Acetyl-L-alanine;Acetylalanine;N-Acetyl-(S)-alanine;N-Acetylalanine;Acetyl-L-alanine;L-N-Acetylalanine;(S)-N-Acetylalanine;(S)-(-)-N-Acetylalanine;NSC 186892;(2S)-2-Acetamidopropanoic acid
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CAS No:
Description
2-Acetylaminopropionic acid is White Cyrstalline Solid
Solid
N-acetyl-L-alanine is an N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a L-alanine derivative and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-alaninate.
Characteristics
66.4
-0.9
Solid
1.2±0.1 g/cm3
120-122 °C
100-102 °C @ Press: 0.2 Torr
177.4±23.2 °C
1.455
2-8°C
138.07 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|134.7 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.7 Ų [M+Na]+
Safety Information
I; II; III
NONH for all modes of transport
3
36/37/38-36
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
N-Acetyl-L-alanine Use and Manufacturing
N-Acetyl-L-alanine is used as a biomarker for prostate cancer.
Human drugs -> Rare disease (orphan)
Computed Properties
Molecular Weight:131.13
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:131.058243149
Monoisotopic Mass:131.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:9
Complexity:132
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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