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CAS 1171417-47-2 1,9-Diazaspiro[5.5]undecan-2-one hydrochloride molecular structure lightbox
CAS RN: 1171417-47-2

1,9-Diazaspiro[5.5]undecan-2-one hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250209 10mg In stock Shanghai Inquiry
  • Product code: SSC-016988
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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 1171417-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1171417-47-2 / 1,9-diazaspiro[5.5]undecan-2-one;hydrochloride

1,9-Diaza-spiro[5.5]undecan-2-one hydrochloride | 1,9-Diaza-spiro(5.5)undecan-2-one hydrochloride | RefChem:417937

Standard CAS: 1171417-47-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171417-47-2
Multi CAS
No
Molecular Formula
C9H17ClN2O
Molecular Weight
204.700000
Exact Mass
204.102941
SMILES
C1CC(=O)NC2(C1)CCNCC2.Cl
InChI
InChI=1S/C9H16N2O.ClH/c12-8-2-1-3-9(11-8)4-6-10-7-5-9;/h10H,1-7H2,(H,11,12);1H
InChIKey
IZCHOSJMQQZACI-UHFFFAOYSA-N
Synonyms
1,9-Diaza-spiro[5.5]undecan-2-one hydrochloride 1,9-Diaza-spiro(5.5)undecan-2-one hydrochloride RefChem:417937 948-426-4 1,9-Diazaspiro[5.5]undecan-2-one hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.08
TPSA
41.13

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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