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CAS 1213128-98-3 (S)-1-(3,5-DIFLUOROPHENYL)ETHANAMINE-HCl molecular structure lightbox
CAS RN: 1213128-98-3

(S)-1-(3,5-DIFLUOROPHENYL)ETHANAMINE-HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250826 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-023251
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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 1213128-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1213128-98-3 / (1S)-1-(3,5-difluorophenyl)ethanamine;hydrochloride

1-(3,5-difluorophenyl)ethanamine hydrochloride | 1-(3,5-difluorophenyl)ethan-1-amine hydrochloride | MFCD29049508

Standard CAS: 1213128-98-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1213128-98-3
Multi CAS
Yes
Molecular Formula
C8H10ClF2N
Molecular Weight
193.620000
Exact Mass
193.046983
SMILES
C[C@@H](C1=CC(=CC(=C1)F)F)N.Cl
InChI
InChI=1S/C8H9F2N.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKey
YSKNBJOMVKILCE-JEDNCBNOSA-N
Synonyms
1-(3,5-difluorophenyl)ethanamine hydrochloride 1-(3,5-difluorophenyl)ethan-1-amine hydrochloride MFCD29049508 1-(3,5-difluorophenyl)ethanamine;hydrochloride 1-(3,5-DIFLUOROPHENYL)ETHAN-1-AMINE HCL

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.21
TPSA
26.02

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.41
Consensus LogP
2.31
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.19

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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