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CAS 1158195-34-6 2-(2-ETHYL-1H-IMIDAZOL-1-YL)ETHANAMINE DIHCL molecular structure lightbox
CAS RN: 1158195-34-6

2-(2-ETHYL-1H-IMIDAZOL-1-YL)ETHANAMINE DIHCL

  • Product code: SSC-015541
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1158195-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1158195-34-6 / 2-(2-ethylimidazol-1-yl)ethanamine;dihydrochloride

2-(2-Ethyl-1h-imidazol-1-yl)ethanamine diHCl | 2-(2-ETHYL-1H-IMIDAZOL-1-YL)ETHANAMINE DIHYDROCHLORIDE | 2-(2-ethyl-1H-imidazol-1-yl)ethan-1-amine dihydrochloride

Standard CAS: 1158195-34-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158195-34-6
Multi CAS
No
Molecular Formula
C7H15Cl2N3
Molecular Weight
212.120000
Exact Mass
211.064303
SMILES
CCC1=NC=CN1CCN.Cl.Cl
InChI
InChI=1S/C7H13N3.2ClH/c1-2-7-9-4-6-10(7)5-3-8;;/h4,6H,2-3,5,8H2,1H3;2*1H
InChIKey
OMEOMYSFZPFLJB-UHFFFAOYSA-N
Synonyms
2-(2-Ethyl-1h-imidazol-1-yl)ethanamine diHCl 2-(2-ETHYL-1H-IMIDAZOL-1-YL)ETHANAMINE DIHYDROCHLORIDE 2-(2-ethyl-1H-imidazol-1-yl)ethan-1-amine dihydrochloride 2-(2-ethylimidazol-1-yl)ethanamine;dihydrochloride MFCD08668223

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.16
TPSA
43.84

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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