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CAS 874-64-6 N-cyclohexyl-N-cyclopropylamine hydrochloride molecular structure lightbox
CAS RN: 874-64-6

N-cyclohexyl-N-cyclopropylamine hydrochloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS874-64-6
  • Purity/Analytical Methods: >99.0%
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874-64-6 / N-cyclopropylcyclohexanamine;hydrochloride

Standard CAS: 874-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874-64-6
Multi CAS
Yes
Molecular Formula
C9H18CLN
Molecular Weight
175.700000
Exact Mass
175.112777
InChI
InChI=1S/C9H17N.ClH/c1-2-4-8(5-3-1)10-9-6-7-9;/h8-10H,1-7H2;1H
InChIKey
BHEJSAFRFRRXIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.28
TPSA
12.03

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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