1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine

Modify Date: 2025-09-24 11:40:48

1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine Structure
1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine structure
 Common Name 1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine
CAS Number 67026-88-4 Molecular Weight 231.29700
Density 1.07g/cm3 Boiling Point 350.1ºC at 760 mmHg
Molecular Formula C12H17N5 Melting Point N/A
MSDS N/A Flash Point 165.5ºC

 Names

Name 1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine

 Chemical & Physical Properties

Density 1.07g/cm3
Boiling Point 350.1ºC at 760 mmHg
Molecular Formula C12H17N5
Molecular Weight 231.29700
Flash Point 165.5ºC
Exact Mass 231.14800
PSA 73.10000
LogP 2.17818
Index of Refraction 1.556
InChIKey DDZJTAKSPRHFFE-UHFFFAOYSA-N
SMILES CC(C)(C)NC(=NCc1cccnc1)NC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ME8955100
CHEMICAL NAME :
Guanidine, 1-tert-butyl-2-cyano-3-(3-pyridylmethyl)-
CAS REGISTRY NUMBER :
67026-88-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H17-N5
MOLECULAR WEIGHT :
231.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,773,1978
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Chemsrc provides CAS#:67026-88-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine>> amp version: 1-tert-butyl-3-cyano-2-(pyridin-3-ylmethyl)guanidine

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