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CAS 149489-07-6 2-Pyridinamine,4-(1-methylethyl)-(9CI) molecular structure lightbox
CAS RN: 149489-07-6

2-Pyridinamine,4-(1-methylethyl)-(9CI)

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Batchno.20260310 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS149489-07-6
  • Purity/Analytical Methods: >99.0%
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149489-07-6 / 4-propan-2-ylpyridin-2-amine

Standard CAS: 149489-07-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149489-07-6
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CC(C)C1=CC(=NC=C1)N
InChI
InChI=1S/C8H12N2/c1-6(2)7-3-4-10-8(9)5-7/h3-6H,1-2H3,(H2,9,10)
InChIKey
GNZXIZXIMJXQIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.74
TPSA
38.91

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
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)
-2.28

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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