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6-Amino-1-methyl-5-nitrosouracil

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Name

6-Amino-1-methyl-5-nitrosouracil

EINECS 230-213-6
CAS No. 6972-78-7 Density 1.83
PSA 110.31000 LogP -0.36510
Solubility N/A Melting Point >300 °C(lit.)

Formula  C5H6 N4 O3 Boiling Point N/A
Molecular Weight 170.128 Flash Point N/A
Transport Information N/A Appearance crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6972-78-7 (6-AMINO-1-METHYL-5-NITROSOURACIL) Hazard Symbols Xi
Synonyms

Uracil,6-amino-1-methyl-5-nitroso- (7CI);3-Methyl-4-amino-5-nitrosouracil;6-Amino-1-methyl-5-nitroso-2,4(1H,3H)-pyrimidinedione;6-Amino-1-methyl-5-nitrosopyrimidine-2,4-dione;6-Amino-1-methyl-5-nitrosouracil;NSC 62582;

Article Data 27

6-Amino-1-methyl-5-nitrosouracil Specification

The 2,4(1H,3H)-Pyrimidinedione,6-amino-1-methyl-5-nitroso-, with the cas register number 6972-78-7, has its IUPAC name of 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dionepurple. And it is a kind of crystalline powder. 

The characteristics of this chemical are as below: (1)XLogP3-AA: -1.1; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 5; (4)Tautomer Count: 11; (5)Exact Mass: 170.04399; (6)MonoIsotopic Mass: 170.04399; (7)Topological Polar Surface Area: 105; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 295; (11)Covalently-Bonded Unit Count: 1.

You should be cautious while dealing with this chemical. It is irritating to eyes, respiratory system and skin, and may cause inflammation to the skin or other mucous. So you had better take the following instructions. Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: CN1C(=C(C(=O)NC1=O)N=O)N
(2)InChI: InChI=1S/C5H6N4O3/c1-9-3(6)2(8-12)4(10)7-5(9)11/h6H2,1H3,(H,7,10,11) 
(3)InChIKey: AHOWVSJPUQTRNN-UHFFFAOYSA-N 

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