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CAS 101-18-8 3-Hydroxydiphenylamine molecular structure lightbox
CAS RN: 101-18-8

3-Hydroxydiphenylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-001809
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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: 25g
  • 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 101-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

101-18-8 / 3-anilinophenol

3-Hydroxydiphenylamine | 3-Anilinophenol | Phenol, 3-(phenylamino)-

Standard CAS: 101-18-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-18-8
Multi CAS
Yes
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
C1=CC=C(C=C1)NC2=CC(=CC=C2)O
InChI
InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H
InChIKey
NDACNGSDAFKTGE-UHFFFAOYSA-N
Synonyms
3-Hydroxydiphenylamine 3-Anilinophenol Phenol, 3-(phenylamino)- m-Anilinophenol 3-HYDROXY-N-PHENYLANILINE

Physical Properties

Melting Point
178 to 180 °F (NTP, 1992)
Boiling Point
644 °F at 760 mmHg (NTP, 1992)
Physical Description
3-hydroxy-n-phenylaniline is a beige powder. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.83
TPSA
32.26

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

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 Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H302 (71.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (30.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (69.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (30.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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