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CAS 1855-63-6 Cyclohexene-1-carbonitrile molecular structure lightbox
CAS RN: 1855-63-6

Cyclohexene-1-carbonitrile

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250223 250mg In stock Shanghai Inquiry
Batchno.20260628 25g In stock Tianjin Inquiry
Batchno.20250320 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-085859
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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: ＞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 1855-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1855-63-6 / cyclohexene-1-carbonitrile

Standard CAS: 1855-63-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1855-63-6
Multi CAS
No
Molecular Formula
C7H9N
Molecular Weight
107.150000
Exact Mass
107.073499
SMILES
C1CCC(=CC1)C#N
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2
InChIKey
GTMWGXABXQTZRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.57
H-bond acceptors
1
Molar refractivity
32.16
TPSA
23.79

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.89
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-1.95

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 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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