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CAS 144800-63-5 1H-Indene-2-methanamine, 2-amino-2,3-dihydro- molecular structure lightbox
CAS RN: 144800-63-5

1H-Indene-2-methanamine, 2-amino-2,3-dihydro-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS144800-63-5
  • Purity/Analytical Methods: >99.0%
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144800-63-5 / 2-(aminomethyl)-1,3-dihydroinden-2-amine

Standard CAS: 144800-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144800-63-5
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
C1C2=CC=CC=C2CC1(CN)N
InChI
InChI=1S/C10H14N2/c11-7-10(12)5-8-3-1-2-4-9(8)6-10/h1-4H,5-7,11-12H2
InChIKey
MRKKQBDPZGKJCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.82
TPSA
52.04

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.2
Consensus LogP
0.34
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.4

Drug-likeness / Medicinal Chemistry

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

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