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CAS 17202-53-8 Spiro[2.4]heptan-1-amine hydrochloride molecular structure lightbox
CAS RN: 17202-53-8

Spiro[2.4]heptan-1-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17202-53-8
  • Purity/Analytical Methods: >99.0%
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17202-53-8 / spiro[2.4]heptan-2-amine;hydrochloride

Standard CAS: 17202-53-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17202-53-8
Multi CAS
No
Molecular Formula
C7H14ClN
Molecular Weight
147.640000
Exact Mass
147.081477
SMILES
C1CCC2(C1)CC2N.Cl
InChI
InChI=1S/C7H13N.ClH/c8-6-5-7(6)3-1-2-4-7;/h6H,1-5,8H2;1H
InChIKey
YSELEYMXRJWAHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.74
TPSA
26.02

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.41

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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