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CAS 1181265-43-9 2,8-Diazaspiro[5.5]undecan-1-one, hydrochloride (1:1) molecular structure lightbox
CAS RN: 1181265-43-9

2,8-Diazaspiro[5.5]undecan-1-one, hydrochloride (1:1)

  • Product code: SSC-017925
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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 1181265-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1181265-43-9 / 2,8-diazaspiro[5.5]undecan-1-one;hydrochloride

2,8-DIAZASPIRO[5.5]UNDECAN-1-ONE HYDROCHLORIDE | 2,8-diazaspiro(5.5)undecan-1-one hydrochloride | RefChem:446484

Standard CAS: 1181265-43-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1181265-43-9
Multi CAS
Yes
Molecular Formula
C9H17ClN2O
Molecular Weight
204.700000
Exact Mass
204.102941
SMILES
C1CC2(CCCNC2=O)CNC1.Cl
InChI
InChI=1S/C9H16N2O.ClH/c12-8-9(4-2-6-11-8)3-1-5-10-7-9;/h10H,1-7H2,(H,11,12);1H
InChIKey
HZKUHRKPTXFYMD-UHFFFAOYSA-N
Synonyms
2,8-DIAZASPIRO[5.5]UNDECAN-1-ONE HYDROCHLORIDE 2,8-diazaspiro(5.5)undecan-1-one hydrochloride RefChem:446484 845-460-0 MFCD08461170

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.03
TPSA
41.13

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.69
Consensus LogP
0.66
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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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