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CAS 100173-92-0 N,N,N”,N”-Tetrabutyldiethylenetriamine molecular structure lightbox
CAS RN: 100173-92-0

N,N,N”,N”-Tetrabutyldiethylenetriamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 1g In stock Shanghai Inquiry
  • Product code: SSC-000577
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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 100173-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

100173-92-0 / N',N'-dibutyl-N-[2-(dibutylamino)ethyl]ethane-1,2-diamine

N,N,N'',N''-Tetrabutyldiethylenetriamine | RefChem:822026 | 677-573-4

Standard CAS: 100173-92-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100173-92-0
Multi CAS
Yes
Molecular Formula
C20H45N3
Molecular Weight
327.600000
Exact Mass
327.361348
SMILES
CCCCN(CCCC)CCNCCN(CCCC)CCCC
InChI
InChI=1S/C20H45N3/c1-5-9-15-22(16-10-6-2)19-13-21-14-20-23(17-11-7-3)18-12-8-4/h21H,5-20H2,1-4H3
InChIKey
LLHVBJQIWZHCCV-UHFFFAOYSA-N
Synonyms
N,N,N'',N''-Tetrabutyldiethylenetriamine RefChem:822026 677-573-4 Bis[2-(dibutylamino)ethyl]amine 1,2-Ethanediamine, N1,N1-dibutyl-N2-[2-(dibutylamino)ethyl]-

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
1
Molar refractivity
105.38
TPSA
18.51

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.9
Consensus LogP
4.38
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
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 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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