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CAS 1169576-95-7 (R)-alpha-Ethyl-4-fluorobenzylamine hydrochloride molecular structure lightbox
CAS RN: 1169576-95-7

(R)-alpha-Ethyl-4-fluorobenzylamine hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 250mg In stock Shanghai Inquiry
  • Product code: SSC-016774
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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 1169576-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1169576-95-7 / (1R)-1-(4-fluorophenyl)propan-1-amine;hydrochloride

(1R)-1-(4-Fluorophenyl)propylamine hydrochloride | RefChem:392945 | 814-451-3

Standard CAS: 1169576-95-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1169576-95-7
Multi CAS
Yes
Molecular Formula
C9H13ClFN
Molecular Weight
189.660000
Exact Mass
189.072055
SMILES
CC[C@H](C1=CC=C(C=C1)F)N.Cl
InChI
InChI=1S/C9H12FN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m1./s1
InChIKey
SNOAOHJQSMWUAH-SBSPUUFOSA-N
Synonyms
(1R)-1-(4-Fluorophenyl)propylamine hydrochloride RefChem:392945 814-451-3 (R)-1-(4-Fluorophenyl)propan-1-amine hydrochloride MFCD11101152

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.87
TPSA
26.02

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.66
Consensus LogP
2.55
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-1.99

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501

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