[email protected]
CAS 13426-94-3 N-Methylbenzylamine Hydrochloride molecular structure lightbox
CAS RN: 13426-94-3

N-Methylbenzylamine Hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS13426-94-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13426-94-3 / N-methyl-1-phenylmethanamine;hydrochloride

Standard CAS: 13426-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13426-94-3
Multi CAS
No
Molecular Formula
C8H12ClN
Molecular Weight
157.640000
Exact Mass
157.065827
SMILES
CNCC1=CC=CC=C1.Cl
InChI
InChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
InChIKey
CBSOFSBFHDQRLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.45
TPSA
12.03

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.83
Consensus LogP
1.75
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us