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Cas Database |
| Name |
8-Chloro-1,2,3,4-tetrahydroisoquinoline |
EINECS | N/A |
| CAS No. | 75416-50-1 | Density | 1.162±0.06 g/cm3(Predicted) |
| PSA | 12.03000 | LogP | 2.31450 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H10ClN | Boiling Point | 276.5±40.0 °C(Predicted) |
| Molecular Weight | 167.638 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Isoquinoline,8-chloro-1,2,3,4-tetrahydro;8-Chloro-1,2,3,4-tetrahydro-isoquinoline; |
Article Data | 1 |
8-Chloro-1,2,3,4-tetrahydroisoquinoline Chemical Properties
Molecular Structure of 8-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS NO.75416-50-1):
IUPAC Name: 8-Chloro-1,2,3,4-tetrahydroisoquinoline
Molecular Weight: 167.6354 [g/mol]
Molecular Formula: C9H10ClN
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Exact Mass: 167.050177
MonoIsotopic Mass: 167.050177
Topological Polar Surface Area: 12
Heavy Atom Count: 11
Complexity: 138
Mol File: 75416-50-1.mol
Canonical SMILES: C1CNCC2=C1C=CC=C2Cl
InChI: InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKey: HQSAGIBNZOOQQL-UHFFFAOYSA-N
8-Chloro-1,2,3,4-tetrahydroisoquinoline Specification
8-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS NO.75416-50-1), its Synonyms are 8-Chloro-1,2,3,4-tetrahydro-isoquinoline ; C90103 .
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