CAS No.77164-02-4,O-METHYLISOUREA ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77164-02-4
Name:	O-METHYLISOUREA ACETATE

Formula:	C₄H₁₀N₂O₃
Molecular Weight:	134.13
Synonyms:	(amino-methoxy-methylidene)azanium acetate;O-Methylisourea acetate;
EINECS:	278-633-9
Boiling Point:	66.9 °C at 760 mmHg
Flash Point:	105 °C
PSA:	96.40000
LogP:	0.41720

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Specification

The 2-Methylisouronium acetate, with CAS registry number 77164-02-4, has the systematic name of amino(methoxy)methaniminium acetate. Besides this, it is also called O-methylisourea acetate. And the chemical formula of this chemical is C₄H₁₀N₂O₃. What's more, its EINECS is 278-633-9.

Physical properties of 2-Methylisouronium acetate: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.84; (4)ACD/LogD (pH 7.4): -2.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.48 Å²; (13)Flash Point: 105 °C; (14)Enthalpy of Vaporization: 30.88 kJ/mol; (15)Boiling Point: 66.9 °C at 760 mmHg; (16)Vapour Pressure: 148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C.O(\C(=[NH2+])N)C
(2)InChI: InChI=1/C2H6N2O.C2H4O2/c1-5-2(3)4;1-2(3)4/h1H3,(H3,3,4);1H3,(H,3,4)
(3)InChIKey: RDTPWDDGFMYTFC-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C2H6N2O.C2H4O2/c1-5-2(3)4;1-2(3)4/h1H3,(H3,3,4);1H3,(H,3,4)
(5)Std. InChIKey: RDTPWDDGFMYTFC-UHFFFAOYSA-N