Basic Information | Post buying leads | Suppliers |
Name |
Creatine hydrochloride |
EINECS | N/A |
CAS No. | 17050-09-8 | Density | N/A |
PSA | 90.41000 | LogP | 0.49830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H10ClN3O2 | Boiling Point | 271.6 °C at 760 mmHg |
Molecular Weight | 167.5941 | Flash Point | 118.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Creatine,monohydrochloride (8CI);Glycine, N-(aminoiminomethyl)-N-methyl-,monohydrochloride (9CI);Creatine hydrochloride; |
The Glycine,N-(aminoiminomethyl)-N-methyl-, hydrochloride (1:1), with CAS registry number 17050-09-8, has the systematic name of N-carbamimidoyl-N-methylglycine hydrochloride (1:1). Besides this, it is also called Creatine hydrochloride. And the chemical formula of this chemical is C4H10ClN3O2.
Physical properties of Glycine,N-(aminoiminomethyl)-N-methyl-, hydrochloride (1:1): (1)ACD/LogP: -1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.36; (4)ACD/LogD (pH 7.4): -4.38; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.14 Å2; (13)Flash Point: 118.1 °C; (14)Enthalpy of Vaporization: 56.12 kJ/mol; (15)Boiling Point: 271.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00178 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)CN(C(=[N@H])N)C
(2)InChI: InChI=1/C4H9N3O2.ClH/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H
(3)InChIKey: DGOAYHVIVJYHKU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H9N3O2.ClH/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H
(5)Std. InChIKey: DGOAYHVIVJYHKU-UHFFFAOYSA-N