1,3-Dimethylurea

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Names

[ CAS No. ]:
96-31-1

[ Name ]:
1,3-Dimethylurea

[Synonym ]:
Urea,N,N'-dimethyl
1,3-dimethyl urea
Symmetric dimethylurea
N,N′-dimethyl urea
Urea, 1,3-dimethyl-
N,N'-Dimethylharnstoff [German]
N,N'-Dimethylurea
UNII-WAM6DR9I4X
4-04-00-00207 (Beilstein Handbook Reference)
EINECS 202-498-7
Urea, N,N'-dimethyl-
N,N'-Dimethylharnstoff
sym-Dimethylurea
N,N`-Dimethylurea
N,N′-dimethylurea
MeNHNCONHMe
Urea,1,3-dimethyl
dimethylurea
MFCD00008286
1,3-Dimethylurea
N,N'-dimethyl-urea

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
269.0±0.0 °C at 760 mmHg

[ Melting Point ]:
101-104 °C(lit.)

[ Molecular Formula ]:
C₃H₈N₂O

[ Molecular Weight ]:
88.108

[ Flash Point ]:
124.3±18.9 °C

[ Exact Mass ]:
88.063660

[ PSA ]:
41.13000

[ LogP ]:
-1.01

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.414

[ Storage condition ]:
Store at RT.

[ Water Solubility ]:
765 g/L (21.5 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS9868000

CHEMICAL NAME :: Urea, 1,3-dimethyl-

CAS REGISTRY NUMBER :: 96-31-1

BEILSTEIN REFERENCE NO. :: 1740672

LAST UPDATED :: 199710

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C3-H8-N2-O

MOLECULAR WEIGHT :: 88.13

WISWESSER LINE NOTATION :: 1MVM1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4962 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2 gm/kg

SEX/DURATION :: female 12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2 gm/kg

SEX/DURATION :: female 10 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2 gm/kg

SEX/DURATION :: female 10 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 40 mmol/L

REFERENCE :: PNASA6 Proceedings of the National Academy of Sciences of the United States of America. (National Academy of Sciences, Printing & Pub. Office, 2101 Constitution Ave., Washington, DC 20418) V.1- 1915- Volume(issue)/page/year: 79,1171,1982

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Risk Phrases ]:
R62

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
YS9868000

[ HS Code ]:
29241900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3-dimethyl-1-nitroso-thiourea
S,S'-Dimethyl dithiocarbonate
methylamine
1,3-Dimethyluracil-5-carboxaldehyde
2,4-Pentandione
Methylamine hydrochloride
Urea
1,3-dimethyl-4-sulfanylidenepyrimidin-2-one
6-Amino-1,3-dimethyluracil

DownStream

Methanol
methylamine
3-Methyl-1-(4-methylphenyl)sulfonyl-urea
Benzamide,N-methyl-3-nitro-
2-MORPHOLIN-4-YL-1,3-THIAZOL-4(5H)-ONE
N,N'-Dimethylthiourea
Carbamic chloride
N-methyl-N-(methylcarbamoyl)carbamoyl chloride
N-methyl-1-(4-methylphenyl)methanimine
1,3,5-trimethyl-1,3,5-triazinan-2-one

Preparation

Customs

[ HS Code ]: 2924199090

[ Summary ]:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Differential protein abundance and function of UT-B urea transporters in human colon.

Am. J. Physiol. Gastrointest. Liver Physiol. 298(3) , G345-51, (2010)

Facilitative UT-B urea transporters enable the passage of urea across cell membranes. Gastrointestinal urea transporters are thought to play a significant role in the urea nitrogen salvaging process t...

In vitro stimulation by paraquat of reactive oxygen-mediated lipid peroxidation in rat lung microsomes.

Toxicol. Appl. Pharmacol. 60(2) , 279-86, (1981)

Novel bUT-B2 urea transporter isoform is constitutively activated.

Am. J. Physiol. Regul. Integr. Comp. Physiol. 297(2) , R323-9, (2009)

Our previous studies have detailed a novel facilitative UT-B urea transporter isoform, bUT-B2. Despite the existence of mouse and human orthologs, the functional characteristics of UT-B2 remain undefi...