Basic information
- CAS
188120-79-8- Standard SMILES
Cc1ccc2cnccc2c1N- InChIKey
XNKLDBHXRXKNOR-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 6-Methylisoquinolin-5-amine
- IUPAC
- 6-methylisoquinolin-5-amine
- English name
- 5-amino-6-methylisoquinoline
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
6-METHYLISOQUINOLIN-5-AMINE188120-79-8RefChem:544000859-569-65-Amino-6-methylisoquinolineMFCD118486505-Isoquinolinamine, 6-methyl-6-methyl-5-isoquinolylamineSCHEMBL4829442XNKLDBHXRXKNOR-UHFFFAOYSA-NNHA12079AKOS023554699
Show more names
AT16420DA-43412SY162252CS-0309226EN300-170141F718849Z1255428312
Database identifiers
- CAS
188120-79-8- PubChem CID
- 39733698
- EC Number
- 859-569-6
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
- Boiling point
- 338.7 · 338.7±27.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 6.13 · 6.13±0.21(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers5 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
4 records
Compound notes
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