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CAS 101-80-4 4,4′-Diaminodiphenyl Ether molecular structure lightbox
CAS RN: 101-80-4

4,4′-Diaminodiphenyl Ether

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100g In stock Inquiry
Batchno.20250312 2.5kg In stock Inquiry
Batchno.20250131 250g In stock Inquiry
Batchno.20250730 25g In stock Inquiry
Batchno.20250312 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 10g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Chongqing, Hebei, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 250mg In stock Inquiry
  • Product code: SSC-001831
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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: 500g
  • Available purity: ＞97%
  • 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 101-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

101-80-4 / 4-(4-aminophenoxy)aniline

4,4'-Oxydianiline | 4,4'-Diaminodiphenyl ether | 4,4-Oxydianiline

Standard CAS: 101-80-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-80-4
Multi CAS
Yes
Molecular Formula
C12H12N2O
Molecular Weight
200.240000
Exact Mass
200.094963
SMILES
C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKey
HLBLWEWZXPIGSM-UHFFFAOYSA-N
Synonyms
4,4'-Oxydianiline 4,4'-Diaminodiphenyl ether 4,4-Oxydianiline 4-Aminophenyl ether Oxydianiline

Physical Properties

Melting Point
367 to 369 °F (NTP, 1992) 189 °C (decomposes
Boiling Point
Sublimes (NTP, 1992) >300 °C
Physical Description
4,4'-diaminodiphenyl ether appears as odorless colorless crystals or an odorless fine, beige powder. (NTP, 1992) Colorless solid; [HSDB] Colorless crystalline solid
Appearance
Colorless crystals
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992) Stable under recommended storage conditions. PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.78
TPSA
61.27

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
1.4
Consensus LogP
2.12
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard Irritant
Signal
Danger Warning
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H311: Toxic in contact with skin [Danger Acute toxicity, dermal] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H340: May cause genetic defects [Danger Germ cell mutagenicity] H350: May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501 P203, P273, P280, P318, P391, P405, and P501 P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 P203, P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, and P501 P203, P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501

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