N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine

Modify Date: 2025-09-22 13:00:37

N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine Structure
N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine structure
Common Name N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine
CAS Number 60559-94-6 Molecular Weight 217.27000
Density 1.08g/cm3 Boiling Point 332.8ºC at 760 mmHg
Molecular Formula C11H15N5 Melting Point N/A
MSDS N/A Flash Point 155.1ºC

 Names

Name 2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.08g/cm3
Boiling Point 332.8ºC at 760 mmHg
Molecular Formula C11H15N5
Molecular Weight 217.27000
Flash Point 155.1ºC
Exact Mass 217.13300
PSA 73.10000
LogP 2.18258
Index of Refraction 1.562
InChIKey TXXOFXVEUPZZHB-UHFFFAOYSA-N
SMILES CC(C)(C)N=C(NC#N)Nc1cccnc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ME8945000
CHEMICAL NAME :
Guanidine, 1-tert-butyl-2-cyano-3-(3-pyridyl)-
CAS REGISTRY NUMBER :
60559-94-6
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H15-N5
MOLECULAR WEIGHT :
217.31
WISWESSER LINE NOTATION :
T6NJ CMYUNCN&MX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
278 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
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
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

 Synthetic Route

~%

N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine Structure

N'-cyano-N-(3-p...

CAS#:60559-94-6

Literature: Leo Pharmaceutical Products Ltd. A/S Patent: US4057636 A1, 1977 ;

~%

N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine Structure

N'-cyano-N-(3-p...

CAS#:60559-94-6

Literature: Manley; Quast Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2327 - 2340

~%

N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine Structure

N'-cyano-N-(3-p...

CAS#:60559-94-6

Literature: Manley; Quast Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2327 - 2340

~%

N'-cyano-N-(3-pyridyl)-N''-(t-butyl)guanidine Structure

N'-cyano-N-(3-p...

CAS#:60559-94-6

Literature: Manley; Quast Journal of Medicinal Chemistry, 1992 , vol. 35, # 12 p. 2327 - 2340

 Synonyms

C11H15N5
P 1060
N-tert-butyl-N"-cyano-N'-3-pyridylguanidine
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