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CAS 60399-02-2 2-Hydroxy-N-methylbenzylamine Hydrochloride molecular structure lightbox
CAS RN: 60399-02-2

2-Hydroxy-N-methylbenzylamine Hydrochloride

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 1g In stock Inquiry
Batchno.20250106 250mg In stock Inquiry
Batchno.20251208 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTM1005
  • Purity/Analytical Methods: >98.0%(T)
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60399-02-2 / 2-(methylaminomethyl)phenol

Standard CAS: 60399-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60399-02-2
Multi CAS
Yes
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h2-5,9-10H,6H2,1H3
InChIKey
PVFSNBPKQDSTPP-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
2
H-bond donors
2
Molar refractivity
40.87
TPSA
32.26

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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