Basic information
- CAS
30598-04-0- Standard SMILES
Nc1ncc(Cl)c2ccccc12- InChIKey
AFKQABNNIRMZSJ-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2
- Average molar mass
- 178.62 g/mol
- Monoisotopic mass
- 178.0297759
Overview
See also: C9 H7 N2 Cl (annotation moved to).
Names & identifiers
- Preferred name
- 4-Chloroisoquinolin-1-amine
- IUPAC
- 4-chloroisoquinolin-1-amine
- English name
- 4-Chloroisoquinolin-1-amine
- Molecular formula
- C9H7ClN2
- Molecular weight
- 178.62
Names & synonyms
4-chloroisoquinolin-1-amine30598-04-01-Isoquinolinamine, 4-chloro-MFCD14702487NSC3382884-chloro-1-isoquinolinamine1-Amino-4-chloroisoquinoline4-chloro-1-isoquinolinylamineSCHEMBL15716008DTXSID60318976(4-chloro-isoquinolin-1-yl)-amineAKOS022187584
Show more names
4-chloroisoquinolin-1(2H)-imine
NSC-338288AS-59885SY356578DB-153656Y13583AC-907/34106043F824054
Database identifiers
- CAS
30598-04-0- PubChem CID
- 334052
- DTXSID
DTXSID60318976
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 163
Physicochemical properties
- Melting point
- 134 · 134-135 °C(Solv: benzene (71-43-2))
- Boiling point
- 346.9 · 346.9±27.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.42 · 5.42±0.31(Predicted)
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海宏合医药科技有限公司18352536981 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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