Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
120-40-1 / N,N-bis(2-hydroxyethyl)dodecanamide
N,N-Bis(2-hydroxyethyl)dodecanamide | Lauric diethanolamide | Lauramide DEA
Basic Information
CAS
120-40-1
Multi CAS
No
Molecular Formula
C16H33NO3
Molecular Weight
287.440000
Exact Mass
287.246044
SMILES
CCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
InChIKey
AOMUHOFOVNGZAN-UHFFFAOYSA-N
Synonyms
N,N-Bis(2-hydroxyethyl)dodecanamide
Lauric diethanolamide
Lauramide DEA
Lauryl diethanolamide
Lauric acid diethanolamide
Physical Properties
Melting Point
108 to 117 °F (NTP, 1992)
38.7 °C
38.00 to 39.00 °C. @ 760.00 mm Hg
Boiling Point
462 to 471 °F at 760 mmHg (NTP, 1992)
Density
Approximately 8.1 lb/gal
Physical Description
Lauric acid diethanolamine condensate (1/1) is an off-white waxy solid. (NTP, 1992)
Liquid; Liquid, Other Solid
Amber liquid or solid; [HSDB] Off-white solid; [CAMEO] Solid; mp = 38.7 deg C; [EPA HPV] Off-white pellets
Appearance
Wax
Amber liquid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.6
TPSA
60.77
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
3.5
Consensus LogP
2.87
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H315 (45.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (93.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H411 (27.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501
