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CAS 212382-59-7 Cyclopentanemethanamine,2,2-dimethyl- molecular structure lightbox
CAS RN: 212382-59-7

Cyclopentanemethanamine,2,2-dimethyl-

  • Product code: SSC-101449
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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 212382-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

212382-59-7 / (2,2-dimethylcyclopentyl)methanamine

Standard CAS: 212382-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212382-59-7
Multi CAS
No
Molecular Formula
C8H17N
Molecular Weight
127.230000
Exact Mass
127.136100
SMILES
CC1(CCCC1CN)C
InChI
InChI=1S/C8H17N/c1-8(2)5-3-4-7(8)6-9/h7H,3-6,9H2,1-2H3
InChIKey
FICBTSLUMJAISS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.18
TPSA
26.02

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.24

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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