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CAS 120218-45-3 1-Phenylcyclobutylamine hydrochloride molecular structure lightbox
CAS RN: 120218-45-3

1-Phenylcyclobutylamine hydrochloride

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-021071
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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: 0.25g, 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 120218-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

120218-45-3 / 1-phenylcyclobutan-1-amine;hydrochloride

1-phenylcyclobutan-1-amine hydrochloride | RefChem:435685 | 848-428-4

Standard CAS: 120218-45-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120218-45-3
Multi CAS
No
Molecular Formula
C10H14ClN
Molecular Weight
183.680000
Exact Mass
183.081477
SMILES
C1CC(C1)(C2=CC=CC=C2)N.Cl
InChI
InChI=1S/C10H13N.ClH/c11-10(7-4-8-10)9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,11H2;1H
InChIKey
IFVYFMNCNFMBGV-UHFFFAOYSA-N
Synonyms
1-phenylcyclobutan-1-amine hydrochloride RefChem:435685 848-428-4 1-phenylcyclobutanamine hydrochloride 1-PHENYLCYCLOBUTYLAMINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.41
TPSA
26.02

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.45
Consensus LogP
2.35
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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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