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CAS 180205-28-1 1-(AMINOMETHYL)CYCLOBUTANOL molecular structure lightbox
CAS RN: 180205-28-1

1-(AMINOMETHYL)CYCLOBUTANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-080618
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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 180205-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

180205-28-1 / 1-(aminomethyl)cyclobutan-1-ol

Standard CAS: 180205-28-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180205-28-1
Multi CAS
No
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
C1CC(C1)(CN)O
InChI
InChI=1S/C5H11NO/c6-4-5(7)2-1-3-5/h7H,1-4,6H2
InChIKey
QMRGVILFWQUZKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.86
TPSA
46.25

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very 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)
-3.44

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501

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