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CAS 1010-95-3 5-Methyltryptamine hydrochloride molecular structure lightbox
CAS RN: 1010-95-3

5-Methyltryptamine hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1010-95-3
  • Purity/Analytical Methods: >99.0%
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1010-95-3 / 2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride

5-Methyltryptamine hydrochloride | RefChem:536908 | 2-(5-methyl-1H-indol-3-yl)ethanamine hydrochloride

Standard CAS: 1010-95-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1010-95-3
Multi CAS
Yes
Molecular Formula
C11H15ClN2
Molecular Weight
210.700000
Exact Mass
210.092376
SMILES
CC1=CC2=C(C=C1)NC=C2CCN.Cl
InChI
InChI=1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKey
RBHDFGBPJGEYCK-UHFFFAOYSA-N
Synonyms
5-Methyltryptamine hydrochloride RefChem:536908 2-(5-methyl-1H-indol-3-yl)ethanamine hydrochloride MFCD00012683 1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
63.04
TPSA
41.81

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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