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CAS 4836-98-0 1,2,3,4-Tetrahydroisoquinolin-2-amine molecular structure lightbox
CAS RN: 4836-98-0

1,2,3,4-Tetrahydroisoquinolin-2-amine

  • Product code: SSC-155199
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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: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4836-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

4836-98-0 / 3,4-dihydro-1H-isoquinolin-2-amine

Standard CAS: 4836-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4836-98-0
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
InChI
InChI=1S/C9H12N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,10H2
InChIKey
IYANYSZUKHQLKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.74
TPSA
29.26

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-2.97

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
1.5

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