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CAS 1167414-91-6 (1R)-1-(3-BROMOPHENYL)ETHANAMINE HCL molecular structure lightbox
CAS RN: 1167414-91-6

(1R)-1-(3-BROMOPHENYL)ETHANAMINE HCL

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260605 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250113 25g Out of stock 15 business days Inquiry
Batchno.20250712 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-016671
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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: 5g
  • 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 1167414-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1167414-91-6 / (1R)-1-(3-bromophenyl)ethanamine;hydrochloride

1-(3-bromophenyl)ethan-1-amine hydrochloride | RefChem:423467 | 861-654-8

Standard CAS: 1167414-91-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1167414-91-6
Multi CAS
Yes
Molecular Formula
C8H11BrClN
Molecular Weight
236.530000
Exact Mass
234.976340
SMILES
C[C@H](C1=CC(=CC=C1)Br)N.Cl
InChI
InChI=1S/C8H10BrN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
InChIKey
JEZBIRPQFCGDRY-FYZOBXCZSA-N
Synonyms
1-(3-bromophenyl)ethan-1-amine hydrochloride RefChem:423467 861-654-8 1-(3-Bromophenyl)ethylamine Hydrochloride 1-(3-Bromophenyl)ethanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.99
TPSA
26.02

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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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