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CAS 154-69-8 TRIPELENNAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 154-69-8

TRIPELENNAMINE HYDROCHLORIDE

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 100g In stock Shanghai Inquiry
Batchno.20260315 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250914 1g In stock Shanghai Inquiry
Batchno.20250304 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250525 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251204 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS154-69-8
  • Purity/Analytical Methods: >99.0%
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154-69-8 / N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride

Standard CAS: 154-69-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
154-69-8
Multi CAS
No
Molecular Formula
C16H22ClN3
Molecular Weight
291.820000
Exact Mass
291.150225
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl
InChI
InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKey
FSSICIQKZGUEAE-UHFFFAOYSA-N

Physical Properties

Melting Point
378.5 to 380.3 °F (NTP, 1992)
Physical Description
Tripelenamine hydrochloride appears as odorless white crystalline powder or solid. Bitter taste. Solutions are neutral to litmus. pH of aqueous solution (25 mg/mL): 6.71. pH of aqueous solution (50 mg/mL): 6.67. pH of aqueous solution (100 mg/mL): 5.56. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.53
TPSA
19.37

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (76.5%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (21.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (76.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (21.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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