2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzoimidazol-5-amine

Modify Date: 2025-10-21 17:37:44

2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzoimidazol-5-amine Structure
2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzoimidazol-5-amine structure
Common Name 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzoimidazol-5-amine
CAS Number 72766-30-4 Molecular Weight 355.34800
Density 1.431g/cm3 Boiling Point 645.5ºC at 760 mmHg
Molecular Formula C17H17N5O4 Melting Point N/A
MSDS N/A Flash Point 344.2ºC

 Names

Name 2-methyl-4,6-dinitro-N-(3-phenylpropyl)-1H-benzimidazol-5-amine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.431g/cm3
Boiling Point 645.5ºC at 760 mmHg
Molecular Formula C17H17N5O4
Molecular Weight 355.34800
Flash Point 344.2ºC
Exact Mass 355.12800
PSA 132.35000
LogP 4.85180
Index of Refraction 1.718
InChIKey QGDYREQCLZBPJP-UHFFFAOYSA-N
SMILES Cc1nc2c([N+](=O)[O-])c(NCCCc3ccccc3)c([N+](=O)[O-])cc2[nH]1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD5423448
CHEMICAL NAME :
1H-Benzimidazol-5-amine, 4,6-dinitro-2-methyl-N-(3-phenylpropyl)-
CAS REGISTRY NUMBER :
72766-30-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N5-O4
MOLECULAR WEIGHT :
355.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 17,164,1979

 Synonyms

4,6-Dinitro-2-methyl-N-(3-phenylpropyl)-1H-benzimidazol-5-amine
1H-Benzimidazol-5-amine,4,6-dinitro-2-methyl-N-(3-phenylpropyl)
(2-methyl-4,6-dinitro-1(3)H-benzoimidazol-5-yl)-(3-phenyl-propyl)-amine
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