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CAS 90389-15-4 (2,6-DICHLOROBENZYL)METHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 90389-15-4

(2,6-DICHLOROBENZYL)METHYLAMINE HYDROCHLORIDE

  • Product code: SSC-202881
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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 90389-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

90389-15-4 / 1-(2,6-dichlorophenyl)-N-methylmethanamine;hydrochloride

Standard CAS: 90389-15-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90389-15-4
Multi CAS
Yes
Molecular Formula
C8H10CL3N
Molecular Weight
226.500000
Exact Mass
224.987882
InChI
InChI=1S/C8H9Cl2N.ClH/c1-11-5-6-7(9)3-2-4-8(6)10;/h2-4,11H,5H2,1H3;1H
InChIKey
MWOMGCJFYSYJBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.47
TPSA
12.03

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
3.13
Consensus LogP
3.01
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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