Basic information
- CAS
2497-02-1- Standard SMILES
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O- InChIKey
KBOJOGQFRVVWBH-ZETCQYMHSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Overview
N-acetyl-L-histidine is a histidine derivative that is L-histidine having an acetyl substituent on the alpha-nitrogen. It has a role as an animal metabolite. It is a N-acetyl-L-amino acid, a L-histidine derivative and a N-acetylhistidine. It is a conjugate acid of a N-acetyl-L-histidinate.
Names & identifiers
- Preferred name
- N-Acetyl-L-histidine
- IUPAC
- (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid
- English name
- N-Acetyl-L-histidine
- Molecular formula
- C8H11N3O3
- Molecular weight
- 197.19
Names & synonyms
N-Acetyl-L-histidineN-Acetylhistidine2497-02-1N2-AcetylhistidineL-Histidine, N-acetyl-N-Hydroxy-aabpHistidine, N-acetyl-, L-K9T7JPU4MLN(2)-acetyl-L-histidineCHEBI:16437(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acidDTXSID001335440
Show more names
AcetylhistidineAc-L-His-OhNα-Ac-L-HisAC-HIS-OH H2OHistidine Impurity 4ACETYL-L-HISTIDINE H2ON-ACETYL-L-HISTIDINE HYDRATE
NSC-118364WR-177589AN-alpha-acetyl-L-histidineCHEBI:86910RefChem:162745DTXCID701765183219-678-6(S)-2-ACETAMIDO-3-(1H-IMIDAZOL-4-YL)PROPANOIC ACID
Database identifiers
- CAS
2497-02-1- PubChem CID
- 75619
- DTXSID
DTXSID001335440- ChEMBL
CHEMBL3251664- ChEBI
CHEBI:16437
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Melting Point187 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 157 · 157-159 °C
- Boiling point
- 620.2 · 620.2±50.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- DMSO (Slightly), Water (Slightly, Sonicated)
- pka
- 3.16 · 3.16±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENTHUMECTANT
- Cosmetic Ingredient Review (CIR)
- N-Acetyl-L-histidine (2497-02-1)
- LogP
- -1.6 · -1.600 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Applications
UsesN-Acetyl-L-histidine is a major constituent of vertebrate brains and in the lens of vertebrate eyes. N-Acetyl-L-histidine is synthesized by neurons and other cells in the central nervous system.
Upstream & downstream products
Downstream products
Suppliers47 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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