Basic information
- CAS
20335-61-9- Standard SMILES
Cc1nccc2c(N)cccc12- InChIKey
KBDMNBWTHOKXQA-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439832
Names & identifiers
- Preferred name
- 1-Methylisoquinolin-5-amine
- IUPAC
- 1-methylisoquinolin-5-amine
- English name
- 5-Isoquinolinamine, 1-methyl-
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
1-methylisoquinolin-5-amine20335-61-9DTXSID40433691RefChem:232073DTXCID003845195-Isoquinolinamine, 1-methyl-1-methyl-5-isoquinolinamineMFCD182604745-amino-1-methylisoquinoline1-methyl-5-aminoisoquinolineSCHEMBL564739SCHEMBL30114448
Show more names
1-Methyl-5-isoquinolinamine - [AC78089]
KBDMNBWTHOKXQA-UHFFFAOYSA-NAKOS022186688AS-44084DS-016176CS-0216037EN300-322903Z1255464651
Database identifiers
- CAS
20335-61-9- PubChem CID
- 9989490
- DTXSID
DTXSID40433691
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 334.2 · 334.2±27.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 6.5 · 6.50±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州康润医药有限公司0512-63913329 18962555590 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
18 records
Compound notes
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