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CAS 21411-81-4 L-MENTHYLAMINE, TECH. 85 molecular structure lightbox
CAS RN: 21411-81-4

L-MENTHYLAMINE, TECH. 85

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3 package records2 with current stock1 grade group
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Batchno.20250118 1g In stock Inquiry
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  • Product code: starshine_CAS21411-81-4
  • Purity/Analytical Methods: >99.0%
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21411-81-4 / 5-methyl-2-propan-2-ylcyclohexan-1-amine

Standard CAS: 21411-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21411-81-4
Multi CAS
No
Molecular Formula
C10H21N
Molecular Weight
155.280000
Exact Mass
155.167400
SMILES
CC1CCC(C(C1)N)C(C)C
InChI
InChI=1S/C10H21N/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6,11H2,1-3H3
InChIKey
RBMUAGDCCJDQLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.32
TPSA
26.02

LogP / Solubility

WLOGP
2.41
MLOGP
2.11
XLogP3
2.8
Consensus LogP
2.44
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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