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CAS 111-51-3 N,N,N’,N’-Tetramethyl-1,4-diaminobutane molecular structure lightbox
CAS RN: 111-51-3

N,N,N’,N’-Tetramethyl-1,4-diaminobutane

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260605 1g In stock Shanghai Inquiry
Batchno.20250410 1ml In stock Shanghai Inquiry
Batchno.20260105 250mg In stock Shanghai Inquiry
Batchno.20250501 25g In stock Shanghai Inquiry
Batchno.20260528 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250429 5ml In stock Shanghai, Shandong Inquiry
  • Product code: SSC-011892
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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 111-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

111-51-3 / N,N,N',N'-tetramethylbutane-1,4-diamine

Tetramethylputrescine | RefChem:897343 | 1,4TMP

Standard CAS: 111-51-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111-51-3
Multi CAS
No
Molecular Formula
C8H20N2
Molecular Weight
144.260000
Exact Mass
144.162649
SMILES
CN(C)CCCCN(C)C
InChI
InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3
InChIKey
VEAZEPMQWHPHAG-UHFFFAOYSA-N
Synonyms
Tetramethylputrescine RefChem:897343 1,4TMP N,N'-tetramethyl-1,4-butanediamine N1,N1,N4,N4-Tetramethylbutane-1,4-diamine

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
46.34
TPSA
6.48

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1
Consensus LogP
0.89
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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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