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  • Pyrimidine,1,4,5,6-tetrahydro-1,2-dimethyl
Name:Pyrimidine,1,4,5,6-tetrahydro-1,2-dimethyl
CAS No:4271-96-9

PRODUCT DESCRIPTION

【Name】
Pyrimidine,1,4,5,6-tetrahydro-1,2-dimethyl-
【Iupac name】
1,2-dimethyl-5,6-dihydro-4H-pyrimidine
【CAS Registry number】
4271-96-9
【Synonyms】
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
1,4,5,6-Tetrahydro-1,2-dimethylpyrimidine
2,3-Dimethyl-3,4,5,6-tetrahydropyrimidine
【EINECS(EC#)】
224-262-2
【Molecular Formula】
C6H12N2 (Products with the same molecular formula)
【Molecular Weight】
112.17288
【Inchi】
InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
【InChIKey】
ZFDWWDZLRKHULH-UHFFFAOYSA-N
【Canonical SMILES】
CC1=NCCCN1C
【MOL File】
4271-96-9.mol

Chemical and Physical Properties

【Appearance】
Slight yellow to colorless
【Density】
0,98 g/cm3
【Boiling Point】
125℃ (115 mmHg)
【Refractive Index】
1.513
【Flash Point】
73°C
【Water】
100g/100g Water at 20°C
【Solubilities】
100g/100g Water at 20°C
【Computed Properties】
Molecular Weight:112.17288 [g/mol]
Molecular Formula:C6H12N2
XLogP3-AA:-0.2
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:112.100048
MonoIsotopic Mass:112.100048
Topological Polar Surface Area:15.6
Heavy Atom Count:8
Formal Charge:0
Complexity:107
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0.8
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R22
【Safety Statements 】
23-26-36/37/39
【Safety】

Hazard Codes: IrritantXi
Risk Statements: 22-34
R22:Harmful if swallowed. 
R34:Causes burns. 
Safety Statements: 23-26-36/37/39
S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
RIDADR: 3267

【Transport】
3267
【Specification】

  1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine , with CAS number of 4271-96-9, can be called pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- ; 1,4,5,6-tetrahydro-1,2-dimethylpyrimidine ; 2,3-Dimethyltetrahydropyrimidine .

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