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CAS 612-64-6 N-NITROSO-N-ETHYLANILINE molecular structure lightbox
CAS RN: 612-64-6

N-NITROSO-N-ETHYLANILINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 10mg / 25mg / 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS612-64-6
  • Purity/Analytical Methods: >99.0%
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612-64-6 / N-ethyl-N-phenylnitrous amide

Standard CAS: 612-64-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
612-64-6
Multi CAS
Yes
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
WXRXVZXYLBWKRG-UHFFFAOYSA-N

Physical Properties

Boiling Point
266 °F at 760 mmHg (NTP, 1992)
Density
1.0874 (NTP, 1992) - Denser than water; will sink
Physical Description
N-nitroso-n-ethylaniline appears as clear amber or yellow liquid. (NTP, 1992)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
45.26
TPSA
32.67

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.1
Consensus LogP
2.07
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.08

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

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