CAS 13127-82-7 POE (2) OLEYL AMINE molecular structure

lightbox

CAS RN: 13127-82-7

POE (2) OLEYL AMINE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups

Grade In stock only

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250726	20g / 100g / 500g / 2.5kg	Confirm by inquiry	Shanghai, Shandong, Guangdong	30 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20251214	5g	In stock	Shanghai		Inquiry

Product code: starshine_CAS13127-82-7
Purity/Analytical Methods: >99.0%

GET A QUOTE

13127-82-7 / 2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethanol

Standard CAS: 13127-82-7 Multi CAS: No

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

13127-82-7

Multi CAS

Molecular Formula

C22H45NO2

Molecular Weight

355.600000

Exact Mass

355.345030

SMILES

CCCCCCCC/C=C\CCCCCCCCN(CCO)CCO

InChI

InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-

InChIKey

BITAPBDLHJQAID-KTKRTIGZSA-N

Physical Properties

Physical Description

Liquid; Other Solid

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

0.91

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

110.06

TPSA

43.7

LogP / Solubility

WLOGP

5.31

MLOGP

4.69

XLogP3

6.8

Consensus LogP

5.6

Log S (ESOL)

-4.07

Class (ESOL)

Slightly soluble

Log S (Ali)

-6.31

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-8.78

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.12

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

2.5

Safety & Transport

Pictogram(s)

Corrosive Irritant Environmental Hazard

Signal

Danger

GHS Hazard Statements

H302 (46%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (46%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (41.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (45.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (44.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501