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N-Acetyl-L-aspartic acid

N-Acetyl-L-aspartic acid structure

CAS No:
997-55-7
Formula:
C6H9NO5
Chemical Name:
N-Acetyl-L-aspartic acid
Synonyms:
L-Aspartic acid,N-acetyl-;Aspartic acid,N-acetyl-,L-;N-Acetyl-L-aspartic acid;N-Acetylaspartic acid;Acetylaspartic acid;Acetyl-L-aspartic acid;N-Acetyl-S-aspartic acid;L-N-Acetylaspartic acid;(2S)-2-Acetamidobutanedioic acid;(S)-2-Acetamidosuccinic acid;7558-96-5
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

N-Acetyl-L-aspartic acid is a derivative of aspartic acid.

Solid

N-acetyl-L-aspartic acid is an N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. It has a role as a nutraceutical, an antioxidant, a human metabolite, a mouse metabolite and a rat metabolite. It is a N-acetyl-L-amino acid and a N-acyl-L-aspartic acid. It is a conjugate acid of a N-acetyl-L-aspartate(2-).|N-Acetylaspartate is the acetylated form of aspartic acid synthesized in the mitochondria of neurons from aspartic acid and acetyl-coenzyme A. Although highly concentrated in neurons, the exact biological role of N-acetylaspartate has yet to be identified. N-acetylaspartate can act as a neuronal marker and brain levels are decreased in many neuropathological conditions.

N-Acetyl-L-aspartic acid Basic Attributes

Molecular Weight：

175.14

Exact Mass：

175.14

EC Number：

213-643-9

UNII：

445Y04YIWR

NCI Thesaurus Code：

C118887

HScode：

2924199090

Characteristics

PSA：

104

XLogP3：

-1.1

Appearance：

Solid

Density：

1.5±0.1 g/cm3

Melting Point：

150 °C

Flash Point：

152.8±30.7 °C

Refractive Index：

1.538

Water Solubility：

>26.3 [ug/mL]

Storage Conditions：

Storeat0

Specific rotation：

52 º (c=1, HAc)

Collision Cross Section：

139 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|129.21 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|143.7 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|139.3 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|131.3 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

CI9098600

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

acetyl aspartic acid

N-Acetyl-L-aspartic acid Use and Manufacturing

Nutritional supplement; in forensic determination of age.

Computed Properties

Molecular Weight:175.14
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:175.04807239
Monoisotopic Mass:175.04807239
Topological Polar Surface Area:104
Heavy Atom Count:12
Complexity:212
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Acetyl-L-aspartic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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