CAS RN: 1616291-21-4
1,1,3-Trimethyl-indan-4-ylamine hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-069240
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1616291-21-4 / 1,1,3-trimethyl-2,3-dihydroinden-4-amine;hydrochloride
Basic Information
CAS
1616291-21-4
Multi CAS
No
Molecular Formula
C12H18ClN
Molecular Weight
211.730000
Exact Mass
211.112777
SMILES
CC1CC(C2=C1C(=CC=C2)N)(C)C.Cl
InChI
InChI=1S/C12H17N.ClH/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9;/h4-6,8H,7,13H2,1-3H3;1H
InChIKey
DDLYWULNEUSYLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.16
TPSA
26.02
LogP / Solubility
WLOGP
3.48
MLOGP
3.06
XLogP3
3.48
Consensus LogP
3.34
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-1.54
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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