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CAS 1785537-35-0 4-Chloro-3,5-dimethylbenzylamine molecular structure lightbox
CAS RN: 1785537-35-0

4-Chloro-3,5-dimethylbenzylamine

  • Product code: SSC-079441
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 1785537-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

1785537-35-0 / (4-chloro-3,5-dimethylphenyl)methanamine

Standard CAS: 1785537-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1785537-35-0
Multi CAS
No
Molecular Formula
C9H12ClN
Molecular Weight
169.650000
Exact Mass
169.065827
SMILES
CC1=CC(=CC(=C1Cl)C)CN
InChI
InChI=1S/C9H12ClN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,5,11H2,1-2H3
InChIKey
ULMASZBMUPFHKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.82
TPSA
26.02

LogP / Solubility

WLOGP
2.42
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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