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CAS 629-78-7 Heptadecane [Standard Material for GC] molecular structure lightbox
CAS RN: 629-78-7

Heptadecane [Standard Material for GC]

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 5ml / 25ml / 100ml / 500ml / 2.5L / 10L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 100ml In stock Shandong, Chongqing, Hebei Inquiry
Batchno.20250717 25ml In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250107 500ml In stock Shanghai Inquiry
Batchno.20251013 5ml In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250209 5ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-172312
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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: 100g
  • 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 629-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

629-78-7 / heptadecane

Standard CAS: 629-78-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-78-7
Multi CAS
No
Molecular Formula
C17H36
Molecular Weight
240.500000
Exact Mass
240.281701
InChI
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey
NDJKXXJCMXVBJW-UHFFFAOYSA-N

Physical Properties

Melting Point
72 °F (NTP, 1992) 21.97 °C
Boiling Point
575.2 °F at 760 mmHg (NTP, 1992) 303 °C
Density
0.778 at 68 °F (NTP, 1992) - Less dense than water; will float 0.7780 g/cu cm at 20 °C
Physical Description
Hexagonal leafs. (NTP, 1992) Solid; mp = 22 deg C; [CAMEO] Colorless liquid; mp = 20-22 deg C
Appearance
Hexagonal leaflets Leaflets Colorless liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
80.6
TPSA
0.0000

LogP / Solubility

WLOGP
6.88
MLOGP
6.06
XLogP3
8.8
Consensus LogP
7.25
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.7

Drug-likeness / Medicinal Chemistry

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

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