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CAS 611-12-1 2-(DIETHYLAMINO)-1-PROPANOL molecular structure lightbox
CAS RN: 611-12-1

2-(DIETHYLAMINO)-1-PROPANOL

  • Product code: SSC-169867
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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 611-12-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

611-12-1 / 2-(diethylamino)propan-1-ol

Standard CAS: 611-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
611-12-1
Multi CAS
No
Molecular Formula
C7H17NO
Molecular Weight
131.220000
Exact Mass
131.131014
InChI
InChI=1S/C7H17NO/c1-4-8(5-2)7(3)6-9/h7,9H,4-6H2,1-3H3
InChIKey
FBJITINXSJWUMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.47
TPSA
23.47

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.02

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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