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CAS 15295-69-9 6-Heptynenitrile molecular structure lightbox
CAS RN: 15295-69-9

6-Heptynenitrile

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 1g In stock Inquiry
Batchno.20251103 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-062589
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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: 5g
  • 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 15295-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

15295-69-9 / hept-6-ynenitrile

Standard CAS: 15295-69-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15295-69-9
Multi CAS
No
Molecular Formula
C7H9N
Molecular Weight
107.150000
Exact Mass
107.073499
SMILES
C#CCCCCC#N
InChI
InChI=1S/C7H9N/c1-2-3-4-5-6-7-8/h1H,3-6H2
InChIKey
BIGRRVLEKCQFHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
32.91
TPSA
23.79

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501

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