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CAS 7084-11-9 N-(3-DIMETHYLAMINOPROPYL)-N’-ETHYLCARBODIIMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 7084-11-9

N-(3-DIMETHYLAMINOPROPYL)-N’-ETHYLCARBODIIMIDE HYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS7084-11-9
  • Purity/Analytical Methods: >99.0%
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7084-11-9 / 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride

Standard CAS: 7084-11-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7084-11-9
Multi CAS
Yes
Molecular Formula
C8H18CLN3
Molecular Weight
191.700000
Exact Mass
191.118925
InChI
InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
InChIKey
FPQQSJJWHUJYPU-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.69
TPSA
27.96

LogP / Solubility

WLOGP
1.55
MLOGP
1.37
XLogP3
1.55
Consensus LogP
1.49
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.79

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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