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CAS 108-49-6 2,6-Dimethylpiperazine molecular structure lightbox
CAS RN: 108-49-6

2,6-Dimethylpiperazine

  • Product code: SSC-009288
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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: 100g
  • 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 108-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

108-49-6 / 2,6-dimethylpiperazine

2,6-Dimethylpiperazine | Piperazine, 2,6-dimethyl- | EINECS 203-588-9

Standard CAS: 108-49-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108-49-6
Multi CAS
Yes
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
CC1CNCC(N1)C
InChI
InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
InChIKey
IFNWESYYDINUHV-UHFFFAOYSA-N
Synonyms
2,6-Dimethylpiperazine Piperazine, 2,6-dimethyl- EINECS 203-588-9 NSC 49197 DTXSID70883302

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.93
TPSA
24.06

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.05
Consensus LogP
-0.03
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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