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CAS 89088-69-7 1-Methyl-1H-iMidazol-4-aMine hydrochloride molecular structure lightbox
CAS RN: 89088-69-7

1-Methyl-1H-iMidazol-4-aMine hydrochloride

  • Product code: SSC-200956
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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 89088-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

89088-69-7 / 1-methylimidazol-4-amine;hydrochloride

Standard CAS: 89088-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89088-69-7
Multi CAS
No
Molecular Formula
C4H8CLN3
Molecular Weight
133.580000
Exact Mass
133.040675
InChI
InChI=1S/C4H7N3.ClH/c1-7-2-4(5)6-3-7;/h2-3H,5H2,1H3;1H
InChIKey
STHPSKXDPYIGLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.87
TPSA
43.84

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.42
Consensus LogP
0.4
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-3.23

Drug-likeness / Medicinal Chemistry

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

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