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CAS 1200798-12-4 1-[4-(TRIFLUOROMETHOXY)PHENYL]CYCLOPROPAN-1-AMINE molecular structure lightbox
CAS RN: 1200798-12-4

1-[4-(TRIFLUOROMETHOXY)PHENYL]CYCLOPROPAN-1-AMINE

  • Product code: SSC-020863
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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: 1
  • 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 1200798-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1200798-12-4 / 1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine

1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine | 1-(4-(Trifluoromethoxy)phenyl)cyclopropan-1-amine | RefChem:424531

Standard CAS: 1200798-12-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1200798-12-4
Multi CAS
No
Molecular Formula
C10H10F3NO
Molecular Weight
217.190000
Exact Mass
217.071448
SMILES
C1CC1(C2=CC=C(C=C2)OC(F)(F)F)N
InChI
InChI=1S/C10H10F3NO/c11-10(12,13)15-8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2
InChIKey
FEYUYWNRWUVYDE-UHFFFAOYSA-N
Synonyms
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine 1-(4-(Trifluoromethoxy)phenyl)cyclopropan-1-amine RefChem:424531 982-956-7 1-[4-(Trifluoromethoxy)phenyl]cyclopropanamine

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.22
TPSA
35.25

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.25

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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