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CAS 134-91-8 Bis(4-diethylaminophenyl)methanol molecular structure lightbox
CAS RN: 134-91-8

Bis(4-diethylaminophenyl)methanol

  • Product code: SSC-041191
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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: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 134-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

134-91-8 / bis[4-(diethylamino)phenyl]methanol

Standard CAS: 134-91-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134-91-8
Multi CAS
No
Molecular Formula
C21H30N2O
Molecular Weight
326.500000
Exact Mass
326.235814
SMILES
CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)O
InChI
InChI=1S/C21H30N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16,21,24H,5-8H2,1-4H3
InChIKey
WCIQBUVXZZYFJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.07
TPSA
26.71

LogP / Solubility

WLOGP
4.46
MLOGP
3.94
XLogP3
4.4
Consensus LogP
4.27
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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