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CAS 1193389-40-0 1-(4-BROMOPHENYL)CYCLOBUTANAMINE (HYDROCHLORIDE) molecular structure lightbox
CAS RN: 1193389-40-0

1-(4-BROMOPHENYL)CYCLOBUTANAMINE (HYDROCHLORIDE)

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100mg In stock Shanghai Inquiry
Batchno.20260621 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250216 1g In stock Shanghai Inquiry
Batchno.20251213 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251112 5g In stock Shanghai Inquiry
  • Product code: SSC-019898
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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: ＞97%
  • 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 1193389-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1193389-40-0 / 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride

1-(4-BROMOPHENYL)CYCLOBUTAN-1-AMINE HYDROCHLORIDE | Cyclobutanamine, 1-(4-bromophenyl)-, hydrochloride (1:1) | RefChem:425066

Standard CAS: 1193389-40-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1193389-40-0
Multi CAS
No
Molecular Formula
C10H13BrClN
Molecular Weight
262.570000
Exact Mass
260.991990
SMILES
C1CC(C1)(C2=CC=C(C=C2)Br)N.Cl
InChI
InChI=1S/C10H12BrN.ClH/c11-9-4-2-8(3-5-9)10(12)6-1-7-10;/h2-5H,1,6-7,12H2;1H
InChIKey
MBVNGJIDWFRMRW-UHFFFAOYSA-N
Synonyms
1-(4-BROMOPHENYL)CYCLOBUTAN-1-AMINE HYDROCHLORIDE Cyclobutanamine, 1-(4-bromophenyl)-, hydrochloride (1:1) RefChem:425066 847-481-0 1-(4-bromophenyl)cyclobutanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.11
TPSA
26.02

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3.21
Consensus LogP
3.08
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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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