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CAS 34392-54-6 2-methylhistamine molecular structure lightbox
CAS RN: 34392-54-6

2-methylhistamine

  • Product code: SSC-140788
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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 34392-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

34392-54-6 / 2-(2-methyl-1H-imidazol-5-yl)ethanamine

Standard CAS: 34392-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34392-54-6
Multi CAS
Yes
Molecular Formula
C6H11N3
Molecular Weight
125.170000
Exact Mass
125.095297
InChI
InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
XDKYTXBAVJELDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.08
TPSA
54.7

LogP / Solubility

WLOGP
0.22
MLOGP
0.18
XLogP3
-0.2
Consensus LogP
0.07
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
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)
-3.33

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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