N-Lauroylglycine

HCID 346152

Substructure search Find similar structures

Basic information

CAS: 7596-88-5
Standard SMILES: CCCCCCCCCCCC(=O)NCC(=O)O
InChIKey: JWGGSJFIGIGFSQ-UHFFFAOYSA-N
Molecular formula: C14H27NO3
Average molar mass: 257.37 g/mol
Monoisotopic mass: 257.19909372

Overview

N-dodecanoylglycine is an N-acylglycine with an acyl group that is lauroyl. It has a role as a metabolite. It is a N-acylglycine and a fatty amide. It is functionally related to a dodecanoic acid. It is a conjugate acid of a N-dodecanoylglycinate.

Names & identifiers

Preferred name: N-Lauroylglycine
IUPAC: 2-(dodecanoylamino)acetic acid
English name: N-Dodecanoylglycine
Molecular formula: C14H27NO3
Molecular weight: 257.37

Names & synonyms

N-LauroylglycineN-dodecanoylglycine2-(dodecanoylamino)acetic acidAcylglycine c:12(dodecanoylamino)acetic aciddodecanamidoacetic acidCHEBI:74441DTXSID90323538RefChem:163635DTXCID60201379841-898-17596-88-5

Show more names

Lauryol Glycine

2-dodecanamidoacetic acidlauroylglycineLAUROYL-GLYCINEMFCD00153470dodecanoylglycineGlycine, N-(1-oxododecyl)-N-n-dodecanoylglycineN-(1-Oxododecyl)glycine

Database identifiers

CAS: 7596-88-5
PubChem CID: 346152
DTXSID: DTXSID90323538
ChEBI: CHEBI:74441
UNII: ZY3C66HB6M
EC Number: 841-898-1
Nikkaji: J1.579.259K

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 18
Formal charge: 0
Complexity: 229

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]

Physical DescriptionSolid

Physicochemical properties

Melting point: 119 °C · 119 °C
Boiling point: 446.3 · 446.3±28.0 °C(Predicted)
Density: 0.989 · 0.989±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Sparingly, Heated), Methanol (Slightly, Heated)
form: Solid
pka: 3.59 · 3.59±0.10(Predicted)
color: White to Off-White
CAS DataBase Reference: 7596 · 7596-88-5
FDA UNII: 3 C66HB6M · ZY3C66HB6M
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HS Code: 2924190090 · 2924190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

hs_code: 2924190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesN-Dodecanoylglycine has been used as an additive in HVI 350 mineral lubricating oil to improve its anti-wear and friction-reducing abilities.

Upstream & downstream products

Upstream raw materials

Suppliers64 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes · 1 item

DefinitionChEBI: N-dodecanoylglycine is an N-acylglycine with an acyl group that is lauroyl. It has a role as a metabolite. It is a N-acylglycine and a fatty amide. It is functionally related to a dodecanoic acid. It is a conjugate acid of a N-dodecanoylglycinate.