[email protected]
CAS 116753-50-5 3-(3-chlorophenoxy)propan-1-amine molecular structure lightbox
CAS RN: 116753-50-5

3-(3-chlorophenoxy)propan-1-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016682
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116753-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

116753-50-5 / 3-(3-chlorophenoxy)propan-1-amine

3-(3-Chlorophenoxy)propylamine | 3-(3-chlorophenoxy)propan-1-amine | [3-(3-Chlorophenoxy)propyl]amine

Standard CAS: 116753-50-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
116753-50-5
Multi CAS
Yes
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
C1=CC(=CC(=C1)Cl)OCCCN
InChI
InChI=1S/C9H12ClNO/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChIKey
KZQPDVZJHZMSKO-UHFFFAOYSA-N
Synonyms
3-(3-Chlorophenoxy)propylamine 3-(3-chlorophenoxy)propan-1-amine [3-(3-Chlorophenoxy)propyl]amine 1-Propanamine, 3-(3-chlorophenoxy)- MFCD06800437

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.62
TPSA
35.25

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.38

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

Customers Also Viewed

Get In Touch

Contact Us