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CAS 311-89-7 Heptacosafluorotributylamine [for Mass spectrometry] molecular structure lightbox
CAS RN: 311-89-7

Heptacosafluorotributylamine [for Mass spectrometry]

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100g In stock Shanghai Inquiry
Batchno.20250723 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250210 500g Out of stock Inquiry
Batchno.20250921 5g In stock Shanghai Inquiry
  • Product code: SSC-136353
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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: ≥95%
  • 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 311-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

311-89-7 / 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine

Standard CAS: 311-89-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
311-89-7
Multi CAS
Yes
Molecular Formula
C12F27N
Molecular Weight
671.090000
Exact Mass
670.959959
InChI
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33
InChIKey
RVZRBWKZFJCCIB-UHFFFAOYSA-N

Physical Properties

Melting Point
-50 °C
Boiling Point
178 °C
Density
1.884 @ 25 °C
Physical Description
Hygroscopic liquid; [HSDB] Colorless liquid
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
64.53
TPSA
3.24

LogP / Solubility

WLOGP
8.57
MLOGP
7.59
XLogP3
9.9
Consensus LogP
8.69
Log S (ESOL)
-8.8
Class (ESOL)
Insoluble
Log S (Ali)
-11.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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