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CAS 220634-41-3 (2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)amine(SALTDATA: HCl) molecular structure lightbox
CAS RN: 220634-41-3

(2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl)amine(SALTDATA: HCl)

  • Product code: SSC-106153
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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: 5g
  • 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 220634-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

220634-41-3 / 2,2-dimethyl-3,4-dihydrochromen-4-amine

Standard CAS: 220634-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220634-41-3
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CC1(CC(C2=CC=CC=C2O1)N)C
InChI
InChI=1S/C11H15NO/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6,9H,7,12H2,1-2H3
InChIKey
YSTIIIRGSQEQNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.69
TPSA
35.25

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
1.5
Consensus LogP
1.91
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.21

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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