CAS RN: 101-32-6
N-Benzyldiethanolamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250918 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-001814
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
101-32-6 / 2-[benzyl(2-hydroxyethyl)amino]ethanol
2,2'-((Phenylmethyl)imino)bisethanol | 2,2'-[(phenylmethyl)imino]bisethanol | 2,2'-[(Phenylmethyl)imino]bis[ethanol]
Basic Information
CAS
101-32-6
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
C1=CC=C(C=C1)CN(CCO)CCO
InChI
InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKey
MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Synonyms
2,2'-((Phenylmethyl)imino)bisethanol
2,2'-[(phenylmethyl)imino]bisethanol
2,2'-[(Phenylmethyl)imino]bis[ethanol]
2,2'-((Phenylmethyl)imino)bis(ethanol)
RefChem:440092
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.89
TPSA
43.7
LogP / Solubility
WLOGP
0.47
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.43
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
