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CAS 101-87-1 N-PHENYL-N’-CYCLOHEXYL-P-PHENYLENEDIAMINE molecular structure lightbox
CAS RN: 101-87-1

N-PHENYL-N’-CYCLOHEXYL-P-PHENYLENEDIAMINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-001835
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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: ≥95%
  • 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 101-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

101-87-1 / 1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine

N1-cyclohexyl-N4-phenylbenzene-1,4-diamine | N-Cyclohexyl-N'-phenyl-p-phenylenediamine | Flexzone 6H

Standard CAS: 101-87-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101-87-1
Multi CAS
Yes
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
SMILES
C1CCC(CC1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2
InChIKey
ZRMMVODKVLXCBB-UHFFFAOYSA-N
Synonyms
N1-cyclohexyl-N4-phenylbenzene-1,4-diamine N-Cyclohexyl-N'-phenyl-p-phenylenediamine Flexzone 6H Vulkacit 4010 N-Cyclohexyl-N'-phenyl-p-phenylendiamine

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.66
TPSA
24.06

LogP / Solubility

WLOGP
5.17
MLOGP
4.56
XLogP3
5.3
Consensus LogP
5.01
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (94.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

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