CAS RN: 1675-69-0
AZELANITRILE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS1675-69-0
- Purity/Analytical Methods: >99.0%
1675-69-0 / nonanedinitrile
Basic Information
CAS
1675-69-0
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
C(CCCC#N)CCCC#N
InChI
InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2
InChIKey
QXOYPGTWWXJFDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
43.55
TPSA
47.58
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
1.2
Consensus LogP
2.13
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.65
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H332 (88.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501
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- Product Code: starshine_CAS1677-42-5
- Purity/Analytical method: >99.0%
