Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 100g, 500g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
124-30-1 / octadecan-1-amine
Basic Information
CAS
124-30-1
Multi CAS
No
Molecular Formula
C18H39N
Molecular Weight
269.500000
Exact Mass
269.308250
SMILES
CCCCCCCCCCCCCCCCCCN
InChI
InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
InChIKey
REYJJPSVUYRZGE-UHFFFAOYSA-N
Physical Properties
Melting Point
120 to 126 °F (NTP, 1992)
52.9 °C
49 - 52 °C
Boiling Point
660 °F at 760 mmHg (NTP, 1992)
346.8 °C @ 760 mm Hg
346.8 °C
Density
0.8618 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8618 @ 20 °C/4 °C
0.86 g/cm³
Physical Description
Octadecylamine appears as a white solid. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Dry Powder; Liquid; Other Solid; Pellets or Large Crystals
White solid; [ICSC] White crystalline solid; Colorless solid with on odor of amines; [ECHA]
Solid
WHITE FLAKES WITH CHARACTERISTIC ODOUR.
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.6
TPSA
26.02
LogP / Solubility
WLOGP
6.21
MLOGP
5.47
XLogP3
8.5
Consensus LogP
6.73
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Health Hazard
Environmental Hazard
Irritant
Signal
Danger
Warning
GHS Hazard Statements
H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P319, P321, P331, P332+P317, P362+P364, P391, P405, and P501
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P331, P332+P317, P362+P364, P363, P391, P405, and P501
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501
P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
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