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CAS 111005-19-7 3,5-DIMETHANOLPYRIDINE molecular structure lightbox
CAS RN: 111005-19-7

3,5-DIMETHANOLPYRIDINE

  • Product code: SSC-011913
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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: 1g
  • 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 111005-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

111005-19-7 / 1H-imidazol-5-amine;dihydrochloride

1H-Imidazol-4-amine dihydrochloride | 4-Aminoimidazole dihydrochloride | 1H-imidazol-5-amine dihydrochloride

Standard CAS: 111005-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
111005-19-7
Multi CAS
Yes
Molecular Formula
C3H7Cl2N3
Molecular Weight
156.010000
Exact Mass
155.001703
SMILES
C1=C(NC=N1)N.Cl.Cl
InChI
InChI=1S/C3H5N3.2ClH/c4-3-1-5-2-6-3;;/h1-2H,4H2,(H,5,6);2*1H
InChIKey
DUMKPSWHQBNFMQ-UHFFFAOYSA-N
Synonyms
1H-Imidazol-4-amine dihydrochloride 4-Aminoimidazole dihydrochloride 1H-imidazol-5-amine dihydrochloride MFCD16987731 1H-imidazol-5-amine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.5
TPSA
54.7

LogP / Solubility

WLOGP
0.84
MLOGP
0.73
XLogP3
0.84
Consensus LogP
0.8
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.08

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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