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CAS 53332-80-2 C-(1H-IMIDAZOL-2-YL)-METHYLAMINE molecular structure lightbox
CAS RN: 53332-80-2

C-(1H-IMIDAZOL-2-YL)-METHYLAMINE

  • Product code: SSC-160625
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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 53332-80-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

53332-80-2 / 1H-imidazol-2-ylmethanamine

Standard CAS: 53332-80-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53332-80-2
Multi CAS
Yes
Molecular Formula
C4H7N3
Molecular Weight
97.120000
Exact Mass
97.063997
InChI
InChI=1S/C4H7N3/c5-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKey
CRZDNISJUXVSKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.48
TPSA
54.7

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.13
XLogP3
-1
Consensus LogP
-0.42
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
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)
-3.41

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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