3-Cyanomethyl-1-(1-naphthyl)urea

Modify Date: 2025-10-01 16:19:56

3-Cyanomethyl-1-(1-naphthyl)urea Structure
3-Cyanomethyl-1-(1-naphthyl)urea structure
 Common Name 3-Cyanomethyl-1-(1-naphthyl)urea
CAS Number 102433-06-7 Molecular Weight 225.24600
Density 1.284g/cm3 Boiling Point 426ºC at 760 mmHg
Molecular Formula C13H11N3O Melting Point N/A
MSDS N/A Flash Point 211.4ºC

 Names

Name 1-(cyanomethyl)-3-naphthalen-1-ylurea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.284g/cm3
Boiling Point 426ºC at 760 mmHg
Molecular Formula C13H11N3O
Molecular Weight 225.24600
Flash Point 211.4ºC
Exact Mass 225.09000
PSA 68.41000
LogP 2.76228
Vapour Pressure 1.83E-07mmHg at 25°C
Index of Refraction 1.683
InChIKey CXARBRPTZKQICA-UHFFFAOYSA-N
SMILES N#CCNC(=O)Nc1cccc2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS7555000
CHEMICAL NAME :
Urea, 1-cyanomethyl-3-(1-naphthyl)-
CAS REGISTRY NUMBER :
102433-06-7
BEILSTEIN REFERENCE NO. :
3312984
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-N3-O
MOLECULAR WEIGHT :
225.27
WISWESSER LINE NOTATION :
L66J BMVM1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08134

 Synthetic Route

1-Naphthylisocyanate structure

1-Naphthylisocyanate

CAS#:86-84-0

Aminoacetonitrile structure

Aminoacetonitrile

CAS#:540-61-4

~%

3-Cyanomethyl-1-(1-naphthyl)urea Structure

3-Cyanomethyl-1...

CAS#:102433-06-7

Literature: Cook; Hunter Journal of the Chemical Society, 1952 , p. 3789,3795

 Synonyms

N-cyanomethyl-N'-[1]naphthyl-urea
3-Cyanomethyl-1-(1-naphthyl)urea
N-Cyanmethyl-N'-[1]naphthyl-harnstoff
5-[1]Naphthyl-hydantoinsaeure-nitril
N-[1]Naphthylcarbamoyl-glycin-nitril
Urea,N-(cyanomethyl)-N'-1-naphthalenyl
Urea,1-cyanomethyl-3-(1-naphthyl)
1-Cyanomethyl-3-(1-naphthyl)urea
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