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CAS 117891-16-4 1H-INDAZOL-3-YLMETHYLAMINE HCL molecular structure lightbox
CAS RN: 117891-16-4

1H-INDAZOL-3-YLMETHYLAMINE HCL

  • Product code: SSC-017721
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117891-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

117891-16-4 / 2H-indazol-3-ylmethanamine;hydrochloride

(1H-INDAZOL-3-YL)METHYLAMINE HYDROCHLORIDE | 1H-INDAZOL-3-YLMETHYLAMINE HCL | (1H-INDAZOL-3-YL)METHANAMINE HYDROCHLORIDE

Standard CAS: 117891-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117891-16-4
Multi CAS
No
Molecular Formula
C8H10ClN3
Molecular Weight
183.640000
Exact Mass
183.056325
SMILES
C1=CC2=C(NN=C2C=C1)CN.Cl
InChI
InChI=1S/C8H9N3.ClH/c9-5-8-6-3-1-2-4-7(6)10-11-8;/h1-4H,5,9H2,(H,10,11);1H
InChIKey
FFYBXWOYYADLFS-UHFFFAOYSA-N
Synonyms
(1H-INDAZOL-3-YL)METHYLAMINE HYDROCHLORIDE 1H-INDAZOL-3-YLMETHYLAMINE HCL (1H-INDAZOL-3-YL)METHANAMINE HYDROCHLORIDE C-(1H-INDAZOL-3-YL)-METHYLAMINE HYDROCHLORIDE MFCD06739150

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.23
TPSA
54.7

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.82

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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