Introduction:Basic information about CAS 14099-81-1|1,2,3,4-tetrahydroisoquinoline hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2,3,4-tetrahydroisoquinoline hydrochloride |
|---|
| CAS Number | 14099-81-1 | Molecular Weight | 169.651 |
|---|
| Density | 1.006g/cm3 | Boiling Point | 232.5ºC at 760mmHg |
|---|
| Molecular Formula | C9H12ClN | Melting Point | 198-202 °C |
|---|
| MSDS | / | Flash Point | 98.9ºC |
|---|
Names
| Name | 1,2,3,4-tetrahydroisoquinoline hydrochloride |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.006g/cm3 |
|---|
| Boiling Point | 232.5ºC at 760mmHg |
|---|
| Melting Point | 198-202 °C |
|---|
| Molecular Formula | C9H12ClN |
|---|
| Molecular Weight | 169.651 |
|---|
| Flash Point | 98.9ºC |
|---|
| Exact Mass | 169.065826 |
|---|
| PSA | 12.03000 |
|---|
| LogP | 2.46310 |
|---|
| Vapour Pressure | 0.0588mmHg at 25°C |
|---|
| InChIKey | MGFREDWKELGWML-UHFFFAOYSA-N |
|---|
| SMILES | Cl.c1ccc2c(c1)CCNC2 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NX5075000
- CHEMICAL NAME :
- Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride
- CAS REGISTRY NUMBER :
- 14099-81-1
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H11-N.Cl-H
- MOLECULAR WEIGHT :
- 169.67
- WISWESSER LINE NOTATION :
- T66 CNT&J &GH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 303 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,1194,1975
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 230 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity Skin and Appendages - hair
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 62,165,1938
|
Safety Information
| Hazard Codes | Xn: Harmful;Xi: Irritant; |
|---|
| Risk Phrases | R36/37/38 |
|---|
| Safety Phrases | S36/37/39-S26-S37/39 |
|---|
| RTECS | NX5075000 |
|---|
| HS Code | 2933499090 |
|---|
Customs
| HS Code | 2933499090 |
|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 1,2,3,4-tetrahydroisoquinoline,hydrochloride |
| 1,2,3,4-Tetrahydroisoquinoline hydrochloride (1:1) |
| 1,2,3,4-Tetrahydroisoquinoline Hydrochloride |
| Isoquinoline, 1,2,3,4-tetrahydro-, hydrochloride (1:1) |
| Isoquinoline 1,2,3,4-tetrahydro, hydrochloride (1:1) |
| MFCD00012740 |
| 1,2,3,4-tetrahydro-isoquinoline HCL |