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CAS 117-79-3 2-AMINOANTHRAQUINONE molecular structure lightbox
CAS RN: 117-79-3

2-AMINOANTHRAQUINONE

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100g In stock Inquiry
Batchno.20250416 1g In stock Inquiry
Batchno.20260630 25g In stock Inquiry
Batchno.20260620 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 100g In stock Shanghai Inquiry
Batchno.20251008 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250503 25g In stock Shanghai Inquiry
Batchno.20250726 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-016833
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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, 10g, 25g
  • 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 117-79-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

117-79-3 / 2-aminoanthracene-9,10-dione

1-AMINOANTHRAQUINONE | Diazo Fast Red AL | Anthraquinone, 1-amino-

Standard CAS: 117-79-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-79-3
Multi CAS
Yes
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
InChIKey
XOGPDSATLSAZEK-UHFFFAOYSA-N
Synonyms
1-AMINOANTHRAQUINONE Diazo Fast Red AL Anthraquinone, 1-amino- 1-Amino-9,10-anthraquinone 9,10-Anthracenedione, 1-amino-

Physical Properties

Melting Point
577 to 583 °F (NTP, 1992) 304.5 °C 302 °C
Boiling Point
Sublimes (NTP, 1992) Sublimes
Physical Description
2-aminoanthraquinone appears as red needle-like crystals or dark brown granular solid. (NTP, 1992) Red or orange-brown solid; [HSDB] Orange-brown powder; RED OR ORANGE-BROWN SOLID IN VARIOUS FORMS.
Appearance
Red needles from alcohol, acetic acid Red or orange-brown needles
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992) Store in tightly closed containers in a refrigerator or cool, well ventilated area away from strong oxidizers.

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.16
TPSA
60.16

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.7
Consensus LogP
2.18
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (92%): Suspected of causing cancer [Warning Carcinogenicity] Not Classified
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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