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CAS 112626-50-3 3-AZABICYCLO[3.3.0]OCTANE HYDROCHLORIDE molecular structure lightbox
CAS RN: 112626-50-3

3-AZABICYCLO[3.3.0]OCTANE HYDROCHLORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251212 100g In stock Inquiry
Batchno.20260224 25g In stock Inquiry
Batchno.20260127 5g In stock Inquiry
  • Product code: SSC-012966
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 112626-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

112626-50-3 / 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride

RefChem:580925 | Cyclopenta(c)pyrrole, octahydro-, hydrochloride (1:1) | 3-Azabicyclo[3.3.0]octane hydrochloride

Standard CAS: 112626-50-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112626-50-3
Multi CAS
Yes
Molecular Formula
C7H14ClN
Molecular Weight
147.640000
Exact Mass
147.081477
SMILES
C1CC2CNCC2C1.Cl
InChI
InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H
InChIKey
HVZRRRPCVOJOLJ-UHFFFAOYSA-N
Synonyms
RefChem:580925 Cyclopenta(c)pyrrole, octahydro-, hydrochloride (1:1) 3-Azabicyclo[3.3.0]octane hydrochloride octahydrocyclopenta[c]pyrrole hydrochloride 3-Azabicyclo[3,3,0]octane HCl

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.95
TPSA
12.03

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H332 (66.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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