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CAS 1187930-70-6 2-Amino-2-pyridin-3-yl-ethanol dihydrochloride molecular structure lightbox
CAS RN: 1187930-70-6

2-Amino-2-pyridin-3-yl-ethanol dihydrochloride

  • Product code: SSC-018834
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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 1187930-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1187930-70-6 / 2-amino-2-pyridin-3-ylethanol;dihydrochloride

2-amino-2-(pyridin-3-yl)ethan-1-ol dihydrochloride | RefChem:463483 | 829-286-2

Standard CAS: 1187930-70-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187930-70-6
Multi CAS
Yes
Molecular Formula
C7H12Cl2N2O
Molecular Weight
211.090000
Exact Mass
210.032668
SMILES
C1=CC(=CN=C1)C(CO)N.Cl.Cl
InChI
InChI=1S/C7H10N2O.2ClH/c8-7(5-10)6-2-1-3-9-4-6;;/h1-4,7,10H,5,8H2;2*1H
InChIKey
CEJDBJMKRRFMGK-UHFFFAOYSA-N
Synonyms
2-amino-2-(pyridin-3-yl)ethan-1-ol dihydrochloride RefChem:463483 829-286-2 2-AMINO-2-PYRIDIN-3-YL-ETHANOL DIHYDROCHLORIDE 2-Amino-2-(pyridin-3-yl)ethanol dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.75
TPSA
59.14

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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