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CAS 61798-01-4 Benzenepropanamine, 4-amino- (9CI) molecular structure lightbox
CAS RN: 61798-01-4

Benzenepropanamine, 4-amino- (9CI)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100mg In stock Shanghai Inquiry
Batchno.20250828 1g In stock Shanghai Inquiry
Batchno.20250123 250mg In stock Shanghai Inquiry
  • Product code: SSC-170732
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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: 0.25g
  • 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 61798-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

61798-01-4 / 4-(3-aminopropyl)aniline

Standard CAS: 61798-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61798-01-4
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
InChI
InChI=1S/C9H14N2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7,10-11H2
InChIKey
OMNVECQLILUEFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.23
TPSA
52.04

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.99
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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