CAS RN: 122-98-5
2-Anilinoethanol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260424 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-024912
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: 500g
- 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 |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
122-98-5 / 2-anilinoethanol
Basic Information
CAS
122-98-5
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
SMILES
C1=CC=C(C=C1)NCCO
InChI
InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKey
MWGATWIBSKHFMR-UHFFFAOYSA-N
Physical Properties
Physical Description
Melting point =11 deg C; [ChemIDplus] Clear brown liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.02
TPSA
32.26
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.78
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
Acute Toxic
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (80.1%): Toxic if swallowed [Danger Acute toxicity, oral]
H310 (82.8%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H311 (17.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H318 (96.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H331 (15.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501
