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CAS 1369102-96-4 6-METHYL-2,3-DIHYDRO-1H-INDEN-4-AMINE molecular structure lightbox
CAS RN: 1369102-96-4

6-METHYL-2,3-DIHYDRO-1H-INDEN-4-AMINE

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250525 100mg Out of stock Inquiry
Batchno.20251205 50mg Out of stock Inquiry
  • Product code: starshine_CAS1369102-96-4
  • Purity/Analytical Methods: >99.0%
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1369102-96-4 / 6-methyl-2,3-dihydro-1H-inden-4-amine

Standard CAS: 1369102-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369102-96-4
Multi CAS
No
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
SMILES
CC1=CC2=C(CCC2)C(=C1)N
InChI
InChI=1S/C10H13N/c1-7-5-8-3-2-4-9(8)10(11)6-7/h5-6H,2-4,11H2,1H3
InChIKey
AVVOGYORSGSYKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.62
TPSA
26.02

LogP / Solubility

WLOGP
2.07
MLOGP
1.81
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.15

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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