Basic information
- Standard SMILES
Nc1cccc2c(C(=O)O)nccc12- InChIKey
NGBQVPOIXGREJI-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 5-Aminoisoquinoline-1-carboxylic acid
- IUPAC
- 5-aminoisoquinoline-1-carboxylic acid
- English name
- Isoquinaldic acid, 5-amino- (7CI)
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
5-Aminoisoquinoline-1-carboxylic acid90770-94-85-amino-isoquinoline-1-carboxylic acidSCHEMBL28788244DTXSID40650624AKOS006305528DB-296026CS-0270601EN300-149525Isoquinaldic acid, 5-amino- (7CI)1-Isoquinolinecarboxylic acid, 5-amino-
Database identifiers
- CAS
90770-94-8- PubChem CID
- 27281517
- DTXSID
DTXSID40650624
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 489.4 · 489.4±30.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- 1.42 · 1.42±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…