heptylurea

Names

[ CAS No. ]:
42955-46-4

[ Name ]:
heptylurea

[Synonym ]:
N-Heptylurea
UREA,n-HEPTYL
Heptyl-harnstoff
Urea,heptyl
N-n-Heptyl-harnstoff
N-Heptylharnstoff
heptyl-urea

Chemical & Physical Properties

[ Density]:
0.929g/cm3

[ Boiling Point ]:
239.3ºC at 760mmHg

[ Molecular Formula ]:
C8H18N2O

[ Molecular Weight ]:
158.24100

[ Flash Point ]:
98.5ºC

[ Exact Mass ]:
158.14200

[ PSA ]:
56.11000

[ LogP ]:
2.52980

[ Index of Refraction ]:
1.456

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YT4375000
CHEMICAL NAME :
Urea, N-heptyl-
CAS REGISTRY NUMBER :
42955-46-4
BEILSTEIN REFERENCE NO. :
1756920
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H18-N2-O
MOLECULAR WEIGHT :
158.28
WISWESSER LINE NOTATION :
ZVM7

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 52,216,1934

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Potassium cyanate
  • 1-Heptylamine
  • heptyl cyanamide
  • N-Nitrocarbamide
  • N-heptyl-N'-octanoyl-urea
  • Sodium cyanide
  • Sulfuric acid
  • 1,4-Dioxane
  • Water

DownStream

  • Heptanenitrile
  • 1-Heptylamine

Related Compounds

  • 1-(3,4-dichlorophenyl)-3-heptylurea
  • 1-(3,4-Dichlorophenyl)-3-heptylurea
  • N-(5-bromopentyl)-N'-(2,4-difluorophenyl)-N-heptylurea
  • 1-[(4-butylphenyl)methyl]-3-(2,4-dimethylphenyl)-1-heptylurea
  • 1-[(4-butylphenyl)methyl]-3-(2,4-dichlorophenyl)-1-heptylurea
  • 1-[(4-butylphenyl)methyl]-3-(2,4-difluorophenyl)-1-heptylurea