CAS RN: 135410-20-7

Acetamiprid

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  • Product code: LINA800802
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135410-20-7 / N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide

Standard CAS: 135410-20-7 Multi CAS: No

Basic Information

CAS
135410-20-7
Multi CAS
No
Molecular Formula
C10H11ClN4
Molecular Weight
222.670000
Exact Mass
222.067224
SMILES
CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
InChIKey
WCXDHFDTOYPNIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.44
TPSA
52.28

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.4
Consensus LogP
1.76
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301: Toxic if swallowed [Danger Acute toxicity, oral] H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P316, P318, P321, P330, P391, P405, and P501 P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 P260, P264, P270, P301+P316, P308+P316, P319, P321, P330, P405, and P501

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