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CAS 1036598-73-8 N-cyclopropylpyridin-4-amine molecular structure lightbox
CAS RN: 1036598-73-8

N-cyclopropylpyridin-4-amine

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  • Product code: starshine_CAS1036598-73-8
  • Purity/Analytical Methods: >99.0%
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1036598-73-8 / N-cyclopropylpyridin-4-amine

N-cyclopropylpyridin-4-amine | RefChem:829752 | 877-759-7

Standard CAS: 1036598-73-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1036598-73-8
Multi CAS
No
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
SMILES
C1CC1NC2=CC=NC=C2
InChI
InChI=1S/C8H10N2/c1-2-7(1)10-8-3-5-9-6-4-8/h3-7H,1-2H2,(H,9,10)
InChIKey
RADOGDWKQXHRKW-UHFFFAOYSA-N
Synonyms
N-cyclopropylpyridin-4-amine RefChem:829752 877-759-7 MFCD11118361 4-cyclopropylaminopyridine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.88
TPSA
24.92

LogP / Solubility

WLOGP
1.66
MLOGP
1.45
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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