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CAS 109-51-3 PENTANAMIDINE molecular structure lightbox
CAS RN: 109-51-3

PENTANAMIDINE

  • Product code: SSC-010187
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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, 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 109-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

109-51-3 / pentanimidamide

Pentanimidamide | DTXSID40399288 | RefChem:368156

Standard CAS: 109-51-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109-51-3
Multi CAS
No
Molecular Formula
C5H12N2
Molecular Weight
100.160000
Exact Mass
100.100048
SMILES
CCCCC(=N)N
InChI
InChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKey
LPXCHPSTROLSJX-UHFFFAOYSA-N
Synonyms
Pentanimidamide DTXSID40399288 RefChem:368156 DTXCID30350146 Pentanamidine

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
31.44
TPSA
49.87

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.54

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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