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CAS 35161-70-7 N-METHYLHEXYLAMINE molecular structure lightbox
CAS RN: 35161-70-7

N-METHYLHEXYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260306 1g / 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS35161-70-7
  • Purity/Analytical Methods: >99.0%
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35161-70-7 / N-methylhexan-1-amine

Standard CAS: 35161-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35161-70-7
Multi CAS
No
Molecular Formula
C7H17N
Molecular Weight
115.220000
Exact Mass
115.136100
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChIKey
XJINZNWPEQMMBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.07
TPSA
12.03

LogP / Solubility

WLOGP
1.79
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.49
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)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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