2-Aminooctadecane-1,3-diol

HCID 3126

Substructure search Find similar structures

Basic information

CAS: 13552-09-5
Standard SMILES: CCCCCCCCCCCCCCCC(O)C(N)CO
InChIKey: OTKJDMGTUTTYMP-UHFFFAOYSA-N
Molecular formula: C18H39NO2
Average molar mass: 301.5 g/mol
Monoisotopic mass: 301.29807949

Overview

2-aminooctadecane-1,3-diol is an aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2. It is an aminodiol and a sphingoid.

Names & identifiers

Preferred name: 2-Aminooctadecane-1,3-diol
IUPAC: 2-aminooctadecane-1,3-diol
English name: DL-1,3-Dihydroxy-2-amino-octadecane
Molecular formula: C18H39NO2
Molecular weight: 301.51

Names & synonyms

2-Aminooctadecane-1,3-diol13552-09-52-amino-1,3-octadecanediolEINECS 236-933-7CHEBI:46968DTXSID00860166RefChem:465170DTXCID30200455236-933-73102-56-5DL-1,3-DIHYDROXY-2-AMINO-OCTADECANEDL-dihydrosphingosine

Show more names

1,3-Octadecanediol, 2-amino-DL-Dihydrosphingosine >=98%, synthetic1,3-Dihydroxy-2-aminooctadecane, DL-1,3-Dihydroxy-2-aminooctadecane

DL-erythro-1,3-Dihydroxy-2-aminooctadecaneDL-Erythro-dihydrosphingosine synthetic73938-69-91,3-DIHYDROXY-2-AMINO-OCTADECANE1,3-Dihydroxy-2-aminooctadecaneSCHEMBL405912-amino-3-hydroxyoctadecanolMLS000028682

Database identifiers

CAS: 13552-09-5、3102-56-5
PubChem CID: 3126
DTXSID: DTXSID00860166
ChEBI: CHEBI:46968
EC Number: 236-933-7、608-571-3
Nikkaji: J81.642F

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 16
Heavy atoms: 21
Formal charge: 0
Complexity: 200

Physicochemical properties

storage temp.: 20 °C · −20°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
WGK Germany: 3 · 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19975

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319
REACH Registrations: Active
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesDL-1,3-dihydroxy-2-amino-octadecane is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Upstream & downstream products

Downstream products

(Z)-N-(1,3-dihydroxyoctadecan-2-yl)octadec-9-enamide

Suppliers6 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

赛纳斯特化学（欢迎点击联系）021-60343070

广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Additional notes

DefinitionChEBI: 2-aminooctadecane-1,3-diol is an aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2. It is a sphingoid and an aminodiol.