2-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidine

Modify Date: 2024-04-11 15:36:58

2-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidine Structure
2-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidine structure
Common Name 2-Cyano-1-(1-ethylpropyl)-3-(3-pyridyl)guanidine
CAS Number 60560-01-2 Molecular Weight 231.29700
Density 1.09g/cm3 Boiling Point 353.6ºC at 760 mmHg
Molecular Formula C12H17N5 Melting Point N/A
MSDS N/A Flash Point 167.6ºC

 Names

Name 1-cyano-2-pentan-3-yl-3-pyridin-3-ylguanidine

 Chemical & Physical Properties

Density 1.09g/cm3
Boiling Point 353.6ºC at 760 mmHg
Molecular Formula C12H17N5
Molecular Weight 231.29700
Flash Point 167.6ºC
Exact Mass 231.14800
PSA 73.10000
LogP 2.57268
Index of Refraction 1.567
InChIKey VUTFWRRFRIIESD-UHFFFAOYSA-N
SMILES CCC(CC)N=C(NC#N)Nc1cccnc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MF0176000
CHEMICAL NAME :
Guanidine, 2-cyano-1-(3-pentyl)-3-(3-pyridyl)-
CAS REGISTRY NUMBER :
60560-01-2
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 :
600 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

 Safety Information

HS Code 2933399090

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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