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1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, monohydrochloride, (S)- (9CI)

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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 Molecular Structure of 88980-06-7 (2(s)-Carboxypiperidine[d]imidazoleHCl) Hazard Symbols N/A
Synonyms

Spinacinehydrochloride;Spinacine monohydrochloride;

 

1H-Imidazo[4,5-c]pyridine-6-carboxylicacid, 4,5,6,7-tetrahydro-, monohydrochloride, (S)- (9CI) Specification

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

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