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CAS 19997-54-7 1-(2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHANAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 19997-54-7

1-(2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHANAMINE HYDROCHLORIDE

  • Product code: SSC-094136
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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 19997-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19997-54-7 / 2,3-dihydro-1-benzofuran-2-ylmethanamine;hydrochloride

Standard CAS: 19997-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19997-54-7
Multi CAS
No
Molecular Formula
C9H12ClNO
Molecular Weight
185.650000
Exact Mass
185.060742
SMILES
C1C(OC2=CC=CC=C21)CN.Cl
InChI
InChI=1S/C9H11NO.ClH/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-4,8H,5-6,10H2;1H
InChIKey
VLQHTBMTNLHCAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.86
TPSA
35.25

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.37
Consensus LogP
1.31
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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