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Aminomebendazole

Aminomebendazole structure

CAS No:
52329-60-9
Formula:
C14H11N3O
Chemical Name:
Aminomebendazole
Synonyms:
Methanone,(2-amino-1H-benzimidazol-6-yl)phenyl-;Methanone,(2-amino-1H-benzimidazol-5-yl)phenyl-;(2-Amino-1H-benzimidazol-6-yl)phenylmethanone;R 18986;(2-Amino-1H-benzimidazol-5-yl)phenylmethanone;2-Amino-5-benzoylbenzimidazole;G 1029;2-Amino-5-benzoyl-1H-benzimidazole;Aminomebendazole;(2-Amino-3H-benzimidazol-5-yl)-phenylmethanone
Categories:
Analytical Chemistry > Standard

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Description

Pale Yellow Solid

2-Amino-5-benzoylbenzimidazole is a member of benzophenones.

Aminomebendazole Basic Attributes

Molecular Weight：

237.25664

Exact Mass：

237.26

UNII：

X6Y3DED23D

DSSTox ID：

DTXSID70200353

HScode：

2933990090

Characteristics

PSA：

71.8

XLogP3：

2.30620

Density：

1.351g/cm3

Melting Point：

192 °C

Boiling Point：

504.5ºC at 760 mmHg

Flash Point：

258.9ºC

Refractive Index：

1.738

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

Collision Cross Section：

161.9 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|175.5 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

RTECS Number：

OB1085000

Marks：

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

AMBZ cpd

Aminomebendazole Use and Manufacturing

Uses

A novel heterocyclic NF-κB inhibitor used in pharmaceutical compositions.

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:237.26
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:237.090211983
Monoisotopic Mass:237.090211983
Topological Polar Surface Area:71.8
Heavy Atom Count:18
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes