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CAS 153390-61-5 1-(3-TrifluoroMethylphenyl)-1-MethylethylaMine molecular structure lightbox
CAS RN: 153390-61-5

1-(3-TrifluoroMethylphenyl)-1-MethylethylaMine

  • Product code: SSC-062854
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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: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 153390-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Shanghai Inquiry
1g ≥97% 4 In Stock Beijing Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

153390-61-5 / 2-[3-(trifluoromethyl)phenyl]propan-2-amine

Standard CAS: 153390-61-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153390-61-5
Multi CAS
No
Molecular Formula
C10H12F3N
Molecular Weight
203.200000
Exact Mass
203.092184
SMILES
CC(C)(C1=CC(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C10H12F3N/c1-9(2,14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,14H2,1-2H3
InChIKey
YEGWNHBRMASMGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.66
TPSA
26.02

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-1.9

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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