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CAS 101012-97-9 DITRIDECYLAMINE molecular structure lightbox
CAS RN: 101012-97-9

DITRIDECYLAMINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS101012-97-9
  • Purity/Analytical Methods: >99.0%
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101012-97-9 / N-tridecyltridecan-1-amine

DITRIDECYLAMINE | N-Tridecyltridecan-1-amine | Bis(tridecyl)amine

Standard CAS: 101012-97-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101012-97-9
Multi CAS
No
Molecular Formula
C26H55N
Molecular Weight
381.700000
Exact Mass
381.433451
SMILES
CCCCCCCCCCCCCNCCCCCCCCCCCCC
InChI
InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3
InChIKey
PZFYOFFTIYJCEW-UHFFFAOYSA-N
Synonyms
DITRIDECYLAMINE N-Tridecyltridecan-1-amine Bis(tridecyl)amine 1-Tridecanamine, N-tridecyl- Di-n-tridecylamine

Physical Properties

Physical Description
Liquid with an unpleasant odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
1
H-bond donors
1
Molar refractivity
125.79
TPSA
12.03

LogP / Solubility

WLOGP
9.2
MLOGP
8.12
XLogP3
12
Consensus LogP
9.77
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-9.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.66
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)
1.48

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
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (95.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (99.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H314 (61.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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