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CAS 1203682-72-7 1,7-Diazaspiro[4.4]nonan-6-one hydrochloride molecular structure lightbox
CAS RN: 1203682-72-7

1,7-Diazaspiro[4.4]nonan-6-one hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1203682-72-7
  • Purity/Analytical Methods: >99.0%
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1203682-72-7 / 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

1,7-diazaspiro[4.4]nonan-6-one hydrochloride | 1,7-Diazaspiro(4.4)nonan-6-one hydrochloride | RefChem:417777

Standard CAS: 1203682-72-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203682-72-7
Multi CAS
No
Molecular Formula
C7H13ClN2O
Molecular Weight
176.640000
Exact Mass
176.071641
SMILES
C1CC2(CCNC2=O)NC1.Cl
InChI
InChI=1S/C7H12N2O.ClH/c10-6-7(3-5-8-6)2-1-4-9-7;/h9H,1-5H2,(H,8,10);1H
InChIKey
JSJBFUIXXKBVPA-UHFFFAOYSA-N
Synonyms
1,7-diazaspiro[4.4]nonan-6-one hydrochloride 1,7-Diazaspiro(4.4)nonan-6-one hydrochloride RefChem:417777 832-305-7 1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.84
TPSA
41.13

LogP / Solubility

WLOGP
0.05
MLOGP
0.04
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
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)
-3.76

Drug-likeness / Medicinal Chemistry

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

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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