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CAS 1124199-60-5 3-(Trifluoromethyl)piperidine hydrochloride molecular structure lightbox
CAS RN: 1124199-60-5

3-(Trifluoromethyl)piperidine hydrochloride

  • Product code: SSC-012862
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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 1124199-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1124199-60-5 / 3-(trifluoromethyl)piperidine;hydrochloride

3-(TRIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE | RefChem:496418 | 825-934-3

Standard CAS: 1124199-60-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1124199-60-5
Multi CAS
Yes
Molecular Formula
C6H11ClF3N
Molecular Weight
189.600000
Exact Mass
189.053212
SMILES
C1CC(CNC1)C(F)(F)F.Cl
InChI
InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-2-1-3-10-4-5;/h5,10H,1-4H2;1H
InChIKey
HMFJYLYZLJHSIF-UHFFFAOYSA-N
Synonyms
3-(TRIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE RefChem:496418 825-934-3 3-(Trifluoromethyl)piperidine HCl MFCD04971985

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.9
TPSA
12.03

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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