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CAS 1436856-44-8 2-iodo-N,N-dimethylethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1436856-44-8

2-iodo-N,N-dimethylethan-1-amine hydrochloride

  • Product code: SSC-055057
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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 1436856-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1436856-44-8 / 2-iodo-N,N-dimethylethanamine;hydrochloride

Standard CAS: 1436856-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1436856-44-8
Multi CAS
No
Molecular Formula
C4H11ClIN
Molecular Weight
235.490000
Exact Mass
234.962470
SMILES
CN(C)CCI.Cl
InChI
InChI=1S/C4H10IN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKey
BKLATZCWVLVION-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.69
TPSA
3.24

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-3.16

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

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