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CAS 1156753-55-7 5-Chloro-1-ethyl-1H-benzimidazol-2-amine molecular structure lightbox
CAS RN: 1156753-55-7

5-Chloro-1-ethyl-1H-benzimidazol-2-amine

  • Product code: SSC-015462
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1156753-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1156753-55-7 / 5-chloro-1-ethylbenzimidazol-2-amine

5-chloro-1-ethyl-1H-1,3-benzodiazol-2-amine | 2-Amino-5-chloro-1-ethyl-1H-benzimidazole | MFCD12111035

Standard CAS: 1156753-55-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1156753-55-7
Multi CAS
No
Molecular Formula
C9H10ClN3
Molecular Weight
195.650000
Exact Mass
195.056325
SMILES
CCN1C2=C(C=C(C=C2)Cl)N=C1N
InChI
InChI=1S/C9H10ClN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12)
InChIKey
IENZKHQOAZUDKM-UHFFFAOYSA-N
Synonyms
5-chloro-1-ethyl-1H-1,3-benzodiazol-2-amine 2-Amino-5-chloro-1-ethyl-1H-benzimidazole MFCD12111035 5-Chloro-1-ethyl-1H-benzimidazol-2-amine 5-chloro-1-ethylbenzimidazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.83
TPSA
43.84

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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