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CAS 1821-36-9 N-CYCLOHEXYLANILINE molecular structure lightbox
CAS RN: 1821-36-9

N-CYCLOHEXYLANILINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 1g In stock Shanghai, Shandong Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
Batchno.20260425 25g In stock Shandong, Hebei Inquiry
Batchno.20250331 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-082963
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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: 10g
  • 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 1821-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

1821-36-9 / N-cyclohexylaniline

Standard CAS: 1821-36-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1821-36-9
Multi CAS
No
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
C1CCC(CC1)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey
TXTHKGMZDDTZFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.94
TPSA
12.03

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.7
Consensus LogP
3.38
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-1.35

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (96.6%): Harmful in contact with skin [Warning Acute toxicity, dermal] H317 (74.6%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (96.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501

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