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CAS 1181457-94-2 2-(Cyclopentyloxy)ethylamine Hydrochloride molecular structure lightbox
CAS RN: 1181457-94-2

2-(Cyclopentyloxy)ethylamine Hydrochloride

  • Product code: SSC-017956
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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: 0.5g, 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 1181457-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1181457-94-2 / 2-cyclopentyloxyethanamine;hydrochloride

(2-aminoethoxy)cyclopentane hydrochloride | RefChem:395320 | 870-672-5

Standard CAS: 1181457-94-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1181457-94-2
Multi CAS
Yes
Molecular Formula
C7H16ClNO
Molecular Weight
165.660000
Exact Mass
165.092042
SMILES
C1CCC(C1)OCCN.Cl
InChI
InChI=1S/C7H15NO.ClH/c8-5-6-9-7-3-1-2-4-7;/h7H,1-6,8H2;1H
InChIKey
RKCDMLPVQCFUJC-UHFFFAOYSA-N
Synonyms
(2-aminoethoxy)cyclopentane hydrochloride RefChem:395320 870-672-5 2-(CYCLOPENTYLOXY)ETHYLAMINE HYDROCHLORIDE 2-(Cyclopentyloxy)ethanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.51
TPSA
35.25

LogP / Solubility

WLOGP
1.33
MLOGP
1.16
XLogP3
1.33
Consensus LogP
1.27
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.79

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)
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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