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CAS 14000-28-3 N-ALPHA-METHYL-L-LYSINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 14000-28-3

N-ALPHA-METHYL-L-LYSINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14000-28-3
  • Purity/Analytical Methods: >99.0%
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14000-28-3 / (2S)-6-amino-2-(methylamino)hexanoic acid;hydrochloride

Standard CAS: 14000-28-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14000-28-3
Multi CAS
No
Molecular Formula
C7H17ClN2O2
Molecular Weight
196.670000
Exact Mass
196.097856
SMILES
CN[C@@H](CCCCN)C(=O)O.Cl
InChI
InChI=1S/C7H16N2O2.ClH/c1-9-6(7(10)11)4-2-3-5-8;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
InChIKey
LWUKQYOOMILVOV-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.64
TPSA
75.35

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.77

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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