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CAS 18851-33-7 1,10-Phenanthroline Hydrochloride Monohydrate molecular structure lightbox
CAS RN: 18851-33-7

1,10-Phenanthroline Hydrochloride Monohydrate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260511 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260330 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250518 500g Out of stock Inquiry
  • Product code: SSC-087729
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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: 10g, 25g, 100g
  • Available purity: ≥97%
  • 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 18851-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

18851-33-7 / 1,10-phenanthroline;hydrate;hydrochloride

Standard CAS: 18851-33-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18851-33-7
Multi CAS
No
Molecular Formula
C12H11ClN2O
Molecular Weight
234.680000
Exact Mass
234.055991
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl
InChI
InChI=1S/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2
InChIKey
NDLHUHRGAIHALB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.91
TPSA
57.28

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.38
Consensus LogP
2.29
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral] H400 (62.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (98.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H301 (92.6%): Toxic if swallowed [Danger Acute toxicity, oral] H400 (94.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501

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