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CAS 1311318-42-9 2-AMINO-2-(2-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE molecular structure lightbox
CAS RN: 1311318-42-9

2-AMINO-2-(2-METHOXYPHENYL)ETHAN-1-OL HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1311318-42-9
  • Purity/Analytical Methods: >99.0%
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1311318-42-9 / 2-amino-2-(2-methoxyphenyl)ethanol;hydrochloride

Standard CAS: 1311318-42-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1311318-42-9
Multi CAS
No
Molecular Formula
C9H14ClNO2
Molecular Weight
203.660000
Exact Mass
203.071306
SMILES
COC1=CC=CC=C1C(CO)N.Cl
InChI
InChI=1S/C9H13NO2.ClH/c1-12-9-5-3-2-4-7(9)8(10)6-11;/h2-5,8,11H,6,10H2,1H3;1H
InChIKey
QOAVNXAFMBMWPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.26
TPSA
55.48

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.17

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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