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CAS 1174626-28-8 2-AMino-6-benzyloxypyridine molecular structure lightbox
CAS RN: 1174626-28-8

2-AMino-6-benzyloxypyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251101 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1174626-28-8
  • Purity/Analytical Methods: >99.0%
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1174626-28-8 / 6-phenylmethoxypyridin-2-amine

2-Amino-6-benzyloxypyridine | RefChem:464709 | 874-812-6

Standard CAS: 1174626-28-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1174626-28-8
Multi CAS
No
Molecular Formula
C12H12N2O
Molecular Weight
200.240000
Exact Mass
200.094963
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=N2)N
InChI
InChI=1S/C12H12N2O/c13-11-7-4-8-12(14-11)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
InChIKey
MEPQJQHIUFFWMI-UHFFFAOYSA-N
Synonyms
2-Amino-6-benzyloxypyridine RefChem:464709 874-812-6 6-(benzyloxy)pyridin-2-amine 2-Pyridinamine, 6-(phenylmethoxy)-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.42
TPSA
48.14

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.3
Consensus LogP
2.17
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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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