Basic information
- CAS
158305-64-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O- InChIKey
UEYROBDNFIWNST-UHFFFAOYSA-N- Molecular formula
- C20H39NO3
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.29299411
Overview
N-octadecanoylglycine is a fatty acid amide resulting from the formal condensation of the carboxy group of octadecanoic acid with the amino group of glycine. It has a role as a human metabolite. It is a N-acylglycine 18:0 and a fatty amide. It is functionally related to an octadecanoic acid. It is a conjugate acid of a N-octadecanoylglycinate.
Names & identifiers
- Preferred name
- N-Stearoyl glycine
- IUPAC
- 2-(octadecanoylamino)acetic acid
- English name
- STE-GLY-OH
- Molecular formula
- C20H39NO3
- Molecular weight
- 341.53
Names & synonyms
StearoylglycineN-stearoyl glycineRefChem:831086110-733-9N-Stearoylglycine6333-54-62-stearamidoacetic acid2-(octadecanoylamino)acetic acidSTE-GLY-OHGlycine stearamide158305-64-7N-octadecanoylglycine
Show more names
Sodium Stearoyl GlycineSTEAROYL-GLYCINESTE-GLY-OH USP/EP/BPN-ALPHA-STEAROYL-GLYCINEOctadecanoylamino-acetic acid
N-octadecanoyl-glycineN-(Carboxymethyl)octadecanamideMFCD00153472Glycine, N-(1-oxooctadecyl)-N-Stearoyl-glycineGlycine,N-(1-oxooctadecyl)-octadecanoylglycineDTXSID10935894
Database identifiers
- CAS
158305-64-7、6333-54-6- PubChem CID
- 95070
- DTXSID
DTXSID10935894- ChEMBL
CHEMBL390936- ChEBI
CHEBI:136623- EC Number
- 110-733-9
- Nikkaji
- J1.634.601B
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 514.5 · 514.5±33.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- 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
Cellular LocationsMembrane
Applications
UsesN-Stearoyl-glycine is used in the study of bioactive N-acyl amides.
Upstream & downstream products
Downstream products
Suppliers41 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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