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CAS 85047-08-1 ETHANOL-1,1,2,2-D4-AMINE molecular structure lightbox
CAS RN: 85047-08-1

ETHANOL-1,1,2,2-D4-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192975
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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 85047-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

85047-08-1 / 2-aminoethanol

Standard CAS: 85047-08-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85047-08-1
Multi CAS
Yes
Molecular Formula
C2H7NO
Molecular Weight
61.080000
Exact Mass
61.052764
InChI
InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
InChIKey
HZAXFHJVJLSVMW-UHFFFAOYSA-N

Physical Properties

Melting Point
50.5 °F (NTP, 1992) 10.4 °C Deliquescent crystals from alcohol, mp: 75-77 °C /Hydrochloride/ 10.5 °C 10 °C
Boiling Point
338 °F at 760 mmHg (NTP, 1992) 170.3 °C 171 °C 339 °F
Density
1.016 at 68 °F (USCG, 1999) - Denser than water; will sink 1.0180 g/cu cm at 20 °C Relative density (water = 1): 1.02 1.02
Physical Description
Ethanolamine appears as a clear colorless liquid with an odor resembling that of ammonia. Flash point 185 °F. May attack copper, brass, and rubber. Corrosive to tissue. Moderately toxic. Produces toxic oxides of nitrogen during combustion. NKRA; Liquid Colorless, viscous liquid or solid (below 51 degrees F) with an unpleasant, ammonia-like odor; [NIOSH] Liquid COLOURLESS VISCOUS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Colorless, viscous liquid or solid (below 51 °F)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
16.14
TPSA
46.25

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.95
XLogP3
-1.3
Consensus LogP
-1.1
Log S (ESOL)
0.52
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.7
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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