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Name |
1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, monohydrochloride, (S)- (9CI) |
EINECS | N/A |
CAS No. | 88980-06-7 | Density | N/A |
PSA | 78.01000 | LogP | 0.63940 |
Solubility | N/A | Melting Point |
286-287 °C (decomp) |
Formula | C7H10ClN3O2 | Boiling Point | 552.2 °C at 760 mmHg |
Molecular Weight | 203.628 | Flash Point | 287.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Spinacinehydrochloride;Spinacine monohydrochloride; |
The 1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, monohydrochloride, (S)- (9CI) is an organic compound with the formula C7H10ClN3O2. With the CAS registry number 88980-06-7, the IUPAC name of this chemical is (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride.
Physical properties about 1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, monohydrochloride, (S)- (9CI) are: (1)ACD/LogP: -1.52; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 47.36 Å2; (6)Flash Point: 287.8 °C; (7)Enthalpy of Vaporization: 87.62 kJ/mol; (8)Boiling Point: 552.2 °C at 760 mmHg; (9)Vapour Pressure: 4.99E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)[C@H]2NCc1c(ncn1)C2
(2)InChI: InChI=1/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H/t5-;/m0./s1
(3)InChIKey: IJWPDVGZOCCGRA-JEDNCBNOBT
(4)Std. InChI: InChI=1S/C7H9N3O2.ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);1H/t5-;/m0./s1
(5)Std. InChIKey: IJWPDVGZOCCGRA-JEDNCBNOSA-N