CAS No.50979-18-5,GUANIDINE SULFAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50979-18-5
Name:	GUANIDINE SULFAMATE

Formula:	CH₈N₄O₃S
Molecular Weight:	156.166
Synonyms:	Guaindine Sulfamate;
EINECS:	256-886-6
Melting Point:	128 °C
Boiling Point:	466.3 °C at 760 mmHg
Flash Point:	235.8 °C
PSA:	164.66000
LogP:	0.86790

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Specification

The IUPAC name of Guanidine sulfamate is guanidine; sulfamic acid. With the CAS registry number 50979-18-5 and EINECS 256-886-6, it is also named as Sulfamic acid, compd. with guanidine (1:1). The other registry numbers are 123549-02-0, 136901-99-0 and 51528-20-2.

The other characteristics of Guanidine sulfamate can be summarized as: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.86; (4)ACD/LogD (pH 7.4): -4.92; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.99 Å²; (13)Enthalpy of Vaporization: 79.77 kJ/mol; (14)Vapour Pressure: 5.52E-10 mmHg at 25°C; (15)Exact Mass: 156.031711; (16)MonoIsotopic Mass: 156.031711; (17)Topological Polar Surface Area: 165; (18)Heavy Atom Count: 9; (19)Complexity: 119.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)N.[N@H]=C(N)N
2. InChI:InChI=1/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)
3. InChIKey:LNEUSAPFBRDCPM-UHFFFAOYAV
4. Std. InChI:InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)
5. Std. InChIKey:LNEUSAPFBRDCPM-UHFFFAOYSA-N