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CAS 18076-19-2 1-[3-AMINO-4-(METHYLAMINO)PHENYL]-1-ETHANONE molecular structure lightbox
CAS RN: 18076-19-2

1-[3-AMINO-4-(METHYLAMINO)PHENYL]-1-ETHANONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250616 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082032
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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: 0.1g
  • 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 18076-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

18076-19-2 / 1-[3-amino-4-(methylamino)phenyl]ethanone

Standard CAS: 18076-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18076-19-2
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
CC(=O)C1=CC(=C(C=C1)NC)N
InChI
InChI=1S/C9H12N2O/c1-6(12)7-3-4-9(11-2)8(10)5-7/h3-5,11H,10H2,1-2H3
InChIKey
BDFJKWSILZEFMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.41
TPSA
55.12

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.65

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

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