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CAS 1263198-96-4 (R)-1-(Pyridin-2-yl)propan-1-amine dihydrochloride molecular structure lightbox
CAS RN: 1263198-96-4

(R)-1-(Pyridin-2-yl)propan-1-amine dihydrochloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINR898710
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1263198-96-4 / (1R)-1-pyridin-2-ylpropan-1-amine;dihydrochloride

Standard CAS: 1263198-96-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1263198-96-4
Multi CAS
No
Molecular Formula
C8H14Cl2N2
Molecular Weight
209.110000
Exact Mass
208.053404
SMILES
CC[C@H](C1=CC=CC=N1)N.Cl.Cl
InChI
InChI=1S/C8H12N2.2ClH/c1-2-7(9)8-5-3-4-6-10-8;;/h3-7H,2,9H2,1H3;2*1H/t7-;;/m1../s1
InChIKey
ORURRAVEPLPSIJ-XCUBXKJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.95
TPSA
38.91

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.34

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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