HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 7046Generated: October 23, 2026
1,2,3,4-Tetrahydroisoquinoline
Compound Fr16648 · TIMTEC-BB SBB003860 · 1,2,3,4-Tetrahydroisoquinoline HCl · 3,5-dimethyl-2-(1-pyrrolyl)pyrazine · 1,2,3,4-tetrahydro-isoquinolinhydrochloride · 1,2,3,4-Tetrahydroisoquinoline hydrochloride · Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride · 1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%
https://huagongshe.com/en/chemical/7046
Identifiers & Physical Properties
| CAS No. | 14099-81-1 |
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| Molecular formula | C9H11N |
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| Average molar mass | 133.19 g/mol |
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| Monoisotopic mass | 133.08914935 g/mol |
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| SMILES | c1ccc2c(c1)CCNC2 |
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| InChIKey | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
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| PubChem CID | 7046 |
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| ChEMBL | CHEMBL14346 |
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| ChEBI | CHEBI:125498 |
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| EC No. | 202-050-0 |
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| DTXSID | DTXSID6026115 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 12 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 111 |
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| Chemical classes | Nitrogen Compounds -> Quinolines |
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| SpringerMaterials Properties | Chemical shift |
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| Melting point | < -15 °C198-202 °C |
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| Physical Description | Clear brown liquid with an unpleasant odor[Acros Organics MSDS] |
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| Storage conditions | Sealed in dry,Room Temperature |
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| Solubility | almost transparency |
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| CAS DataBase Reference | 14099-81-1(CAS DataBase Reference) |
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| EWG's Food Scores | 1 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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| Hazard symbols | Xn,Xi |
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| Risk statements (R) | 36/37/38-20/21/22 |
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| Safety statements (S) | 36/37/39-26-37/39 |
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| RTECS number | NX5075000 |
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| Customs code | 29334990 |
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| Toxicity | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
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Safety & Regulations
| GHS classification | DangerH301 (69.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatory information | Status: Cease Manufacture Update: 21-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10824 |
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| Hazards summary | Causes other degenerative changes to brain and coverings and effects on peptidases in acute intraperitoneal studies of rats[RTECS] Causes burnsToxic by ingestionHarmful by inhalationHighly toxic by skin absorptionMay cause brain damage[ECHA REACH Registrations] An irritant[Acros Organics MSDS] See 5,6,7,8-Tetrahydroquinoline. |
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| Hazard Classes and Categories | Acute Tox. 3 (69.5%) |
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| Adverse effects | Dermatotoxin - Skin burns. |
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| RTECS number | NX5075000 |
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| Customs code | 29334990 |
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| Toxicity | mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975. |
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| Risk statements (R) | 36/37/38-20/21/22 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xn,Xi |
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| Safety statements (S) | 36/37/39-26-37/39 |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
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