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CAS 1159823-45-6 2-(2-Aminoethyl)aniline dihydrochloride molecular structure lightbox
CAS RN: 1159823-45-6

2-(2-Aminoethyl)aniline dihydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260110 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015904
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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
  • 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 1159823-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1159823-45-6 / 2-(2-aminoethyl)aniline;dihydrochloride

2-(2-Aminoethyl)aniline dihydrochloride | 2-(2-aminoethyl)aniline 2hcl | 2-(2-amino-ethyl)-phenylamine dihydrochloride

Standard CAS: 1159823-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159823-45-6
Multi CAS
No
Molecular Formula
C8H14Cl2N2
Molecular Weight
209.110000
Exact Mass
208.053404
SMILES
C1=CC=C(C(=C1)CCN)N.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c9-6-5-7-3-1-2-4-8(7)10;;/h1-4H,5-6,9-10H2;2*1H
InChIKey
KRZZSHRMVZTDTQ-UHFFFAOYSA-N
Synonyms
2-(2-Aminoethyl)aniline dihydrochloride 2-(2-aminoethyl)aniline 2hcl 2-(2-amino-ethyl)-phenylamine dihydrochloride MFCD09878747 2-(2-aminoethyl)aniline;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.11
TPSA
52.04

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.85

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

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