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CAS 856782-35-9 1-Methyl-1H-indol-6-amine hydrochloride molecular structure lightbox
CAS RN: 856782-35-9

1-Methyl-1H-indol-6-amine hydrochloride

  • Product code: SSC-194194
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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: 0.25g
  • 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 856782-35-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

856782-35-9 / 1-methylindol-6-amine;hydrochloride

Standard CAS: 856782-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856782-35-9
Multi CAS
No
Molecular Formula
C9H11CLN2
Molecular Weight
182.650000
Exact Mass
182.061076
InChI
InChI=1S/C9H10N2.ClH/c1-11-5-4-7-2-3-8(10)6-9(7)11;/h2-6H,10H2,1H3;1H
InChIKey
NKDOUVHMIPLZFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.58
TPSA
30.95

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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