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CAS 1213080-28-4 (2S)-2-AMINO-2-(3-PYRIDYL)ETHAN-1-OL molecular structure lightbox
CAS RN: 1213080-28-4

(2S)-2-AMINO-2-(3-PYRIDYL)ETHAN-1-OL

  • Product code: SSC-023213
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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 1213080-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1213080-28-4 / (2S)-2-amino-2-pyridin-3-ylethanol

1-(3-Pyridinyl)-2-hydroxyethylamine | DTXSID00370376 | RefChem:424119

Standard CAS: 1213080-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213080-28-4
Multi CAS
Yes
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
C1=CC(=CN=C1)[C@@H](CO)N
InChI
InChI=1S/C7H10N2O/c8-7(5-10)6-2-1-3-9-4-6/h1-4,7,10H,5,8H2/t7-/m1/s1
InChIKey
RTBSTLCUXKGLPI-SSDOTTSWSA-N
Synonyms
1-(3-Pyridinyl)-2-hydroxyethylamine DTXSID00370376 RefChem:424119 DTXCID70321411 803-805-2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.25
TPSA
59.14

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.9
Consensus LogP
-0.26
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.51

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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