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Substance Name: Isoquinoline
RN: 119-65-3
UNII: JGX76Y85M6
InChIKey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
Molecular Formula
- C9-H7-N
Molecular Weight
- 129.1613
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Isoquinoline
Synonyms
- 2-Azanaphthalene
- 2-Benzazine
- 3,4-Benzopyridine
- AI3-10035
- Benzo(c)pyridine
- beta-Quinoline
- CCRIS 5752
- EC 204-341-8
- EINECS 204-341-8
- FEMA No. 2978
- Isochinolin
- Isochinolin [Czech]
- Leucoline
- NSC 3395
- UNII-JGX76Y85M6
Systematic Name
- Isoquinoline
Superlist Name
- Isoquinoline
Registry Numbers
CAS Registry Number
- 119-65-3
FDA UNII
- JGX76Y85M6
Related Registry Number
- 21364-46-5 (hydrochloride)
System Generated Number
- 0000119653
Structure Descriptors
InChI
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7HInChIKey
AWJUIBRHMBBTKR-UHFFFAOYSA-NSmiles
c1ccc2cnccc2c1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| frog | LDLo | parenteral | 1gm/kg (1000mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 695, 1948. | |
| rabbit | LD50 | skin | 590uL/kg (0.59mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rabbit | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 695, 1948. | |
| rat | LD50 | oral | 360mg/kg (360mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 26.47 | deg C | EXP | |
| Boiling Point | 243.2 | deg C | EXP | |
| pKa Dissociation Constant | 5.42 | (none) | 20 | EXP |
| log P (octanol-water) | 2.08 | (none) | EXP | |
| Water Solubility | 4520 | mg/L | 25 | EXP |
| Henry's Law Constant | 6.88E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.50E-12 | cm3/molecule-sec | 24 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.