TERT-BUTYLUREA

Molecule structure of tert-Butylurea (CAS NO.1118-12-3) :

IUPAC Name: tert-butylurea 
Molecular Weight: 116.16158 g/mol
Molecular Formula: C₅H₁₂N₂O 
Density: 0.962 g/cm³ 
Boiling Point: 163.7 °C at 760 mmHg 
Flash Point: 52.8 °C
Index of Refraction: 1.448
Molar Refractivity: 32.33 cm³
Molar Volume: 120.7 cm³
Polarizability: 12.82×10^-24 cm³
Surface Tension: 32.4 dyne/cm 
Enthalpy of Vaporization: 40.02 kJ/mol
Vapour Pressure: 2.04 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 116.094963
MonoIsotopic Mass: 116.094963
Topological Polar Surface Area: 55.1
Heavy Atom Count: 8 
Complexity: 93.1
Canonical SMILES: CC(C)(C)NC(=O)N
InChI: InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
InChIKey: JLEHSYHLHLHPAL-UHFFFAOYSA-N
EINECS: 214-257-3
Product Categories: Carbonyl Compounds; Organic Building Blocks; Ureas

Reported in EPA TSCA Inventory.

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x.
Hazard Codes: Xn
Risk Statements: 37-20/21/22
R37:Irritating to respiratory system 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: YS3680000

 tert-Butylurea (CAS NO.1118-12-3) is also called (1,1-Dimethylethyl)urea ; 4-04-00-00665 (Beilstein Handbook Reference) ; BRN 1744501 ; N-tert-Butylurea ; NSC 4604 ; Urea, tert-butyl- ; Urea, (1,1-dimethylethyl)- ; Urea, N-(1,1-dimethylethyl)- ; Urea, tert-butyl- . tert-Butylurea (CAS NO.1118-12-3) is white crystals or crystalline powder. tert-Butylurea (CAS NO.1118-12-3) is moderate toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.