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CAS 1121-92-2 1,7-HEPTANEDIOL molecular structure lightbox
CAS RN: 1121-92-2

1,7-HEPTANEDIOL

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100g In stock Shanghai Inquiry
Batchno.20250108 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250413 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260624 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251125 500g In stock Shanghai Inquiry
Batchno.20250719 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-012594
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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: ＞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 1121-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1121-92-2 / azocane

Azocane | Heptamethyleneimine | Azacyclooctane

Standard CAS: 1121-92-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1121-92-2
Multi CAS
Yes
Molecular Formula
C7H15N
Molecular Weight
113.200000
Exact Mass
113.120449
SMILES
C1CCCNCCC1
InChI
InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
InChIKey
QXNDZONIWRINJR-UHFFFAOYSA-N
Synonyms
Azocane Heptamethyleneimine Azacyclooctane OCTAHYDROAZOCINE Heptamethylenimine

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.95
TPSA
12.03

LogP / Solubility

WLOGP
1.54
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-2.32

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)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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