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CAS 111-52-4 N,N,N’,N’-TETRAMETHYL-2-BUTENE-1,4-DIAMINE molecular structure lightbox
CAS RN: 111-52-4

N,N,N’,N’-TETRAMETHYL-2-BUTENE-1,4-DIAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011893
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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: ≥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 111-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

111-52-4 / (E)-N,N,N',N'-tetramethylbut-2-ene-1,4-diamine

N,N,N',N'-Tetramethylbut-2-enylenediamine | N,N,N',N'-tetramethylbut-2-ene-1,4-diamine | 2-Butene-1,4-diamine,N1,N1,N4,N4-tetramethyl-, (2E)-

Standard CAS: 111-52-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111-52-4
Multi CAS
Yes
Molecular Formula
C8H18N2
Molecular Weight
142.240000
Exact Mass
142.146999
SMILES
CN(C)C/C=C/CN(C)C
InChI
InChI=1S/C8H18N2/c1-9(2)7-5-6-8-10(3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey
KUEDAAUECWBMLW-AATRIKPKSA-N
Synonyms
N,N,N',N'-Tetramethylbut-2-enylenediamine N,N,N',N'-tetramethylbut-2-ene-1,4-diamine 2-Butene-1,4-diamine,N1,N1,N4,N4-tetramethyl-, (2E)- NCIOpen2_003362 SCHEMBL235759

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
46.25
TPSA
6.48

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.11

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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