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CAS 102-45-4 1-Cyclopentyl-N-methylpropan-2-amine molecular structure lightbox
CAS RN: 102-45-4

1-Cyclopentyl-N-methylpropan-2-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 50mg Out of stock 15 business days Inquiry
  • Product code: LINC895997
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102-45-4 / 1-cyclopentyl-N-methylpropan-2-amine

Cyclopentamine | Cyclonarol | Clopane

Standard CAS: 102-45-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
102-45-4
Multi CAS
No
Molecular Formula
C9H19N
Molecular Weight
141.250000
Exact Mass
141.151750
SMILES
CC(CC1CCCC1)NC
InChI
InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
InChIKey
HFXKQSZZZPGLKQ-UHFFFAOYSA-N
Synonyms
Cyclopentamine Cyclonarol Clopane Ciclopentamina Cyklosal

Physical Properties

Melting Point
113-115

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.1
TPSA
12.03

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.9
Consensus LogP
2.33
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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