[email protected]
CAS 1195782-28-5 (2R,6S)-rel-1,2,6-TriMethylpiperazine dihydrochloride molecular structure lightbox
CAS RN: 1195782-28-5

(2R,6S)-rel-1,2,6-TriMethylpiperazine dihydrochloride

  • Product code: SSC-020114
GET A QUOTE
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
Request Bulk Quote

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 1195782-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1195782-28-5 / (2R,6S)-1,2,6-trimethylpiperazine;dihydrochloride

cis-1,2,6-trimethylpiperazine dihydrochloride | (2r,6s)-rel-1,2,6-trimethylpiperazine dihydrochloride | cis-1,2,6-Trimethylpiperazine 2HCl

Standard CAS: 1195782-28-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1195782-28-5
Multi CAS
Yes
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
C[C@@H]1CNC[C@@H](N1C)C.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-6-4-8-5-7(2)9(6)3;;/h6-8H,4-5H2,1-3H3;2*1H/t6-,7+;;
InChIKey
SZLULMXLBYGMPO-DTQHMAPFSA-N
Synonyms
cis-1,2,6-trimethylpiperazine dihydrochloride (2r,6s)-rel-1,2,6-trimethylpiperazine dihydrochloride cis-1,2,6-Trimethylpiperazine 2HCl MFCD26959087 (2r,6s)-1,2,6-trimethylpiperazine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.05
TPSA
15.27

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
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)
-3.14

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

Customers Also Viewed

Get In Touch

Contact Us