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CAS 35161-67-2 2-(N-PENTYLAMINO)ETHANOL molecular structure lightbox
CAS RN: 35161-67-2

2-(N-PENTYLAMINO)ETHANOL

  • Product code: SSC-142009
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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 35161-67-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

35161-67-2 / 2-(pentylamino)ethanol

Standard CAS: 35161-67-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35161-67-2
Multi CAS
Yes
Molecular Formula
C7H17NO
Molecular Weight
131.220000
Exact Mass
131.131014
InChI
InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3
InChIKey
SALYKAIZVOFAEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.48
TPSA
32.26

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.98

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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