[email protected]
CAS 14611-52-0 Selegiline hydrochloride molecular structure lightbox
CAS RN: 14611-52-0

Selegiline hydrochloride

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250316 100mg In stock Inquiry
Batchno.20250427 1g Out of stock Inquiry
Batchno.20250403 250mg In stock Inquiry
  • Product code: starshine_CAS14611-52-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

14611-52-0 / (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride

Standard CAS: 14611-52-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14611-52-0
Multi CAS
No
Molecular Formula
C13H18ClN
Molecular Weight
223.740000
Exact Mass
223.112777
SMILES
C[C@H](CC1=CC=CC=C1)N(C)CC#C.Cl
InChI
InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1
InChIKey
IYETZZCWLLUHIJ-UTONKHPSSA-N

Physical Properties

Melting Point
141-142 °C
Appearance
Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.32
TPSA
3.24

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals] H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P390, P391, P403+P233, P405, P406, and P501

Customers Also Viewed

Get In Touch

Contact Us