Basic information
- CAS
25475-67-6- Standard SMILES
Nc1cc2ccccc2cn1- InChIKey
VYCKDIRCVDCQAE-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- Isoquinolin-3-Amine
- IUPAC
- isoquinolin-3-amine
- English name
- Isoquinolin-3-amine
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
isoquinolin-3-amine25475-67-63-IsoquinolinamineRefChem:792276662-877-1InChI=1/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,113-AminoisoquinolineIsoquinolin-3-ylamine3(2H)-Isoquinolinimine(9CI)MFCD00102190Isoquinoline-3-amineIsoquinoline, 3-amino-
Show more names
IFLAB-BB F2108-00973-Aminoisoquinoline 97%Isoquinolin-3-amine, 95+%25475-67-6(Isoquinolin-3-aMine)Isoquinolin-3-amine, 95% (Custom work)ISOQUINOLIN-3-AMINE ISO 9001：2015 REACH
139557-81-6isoquinolin-3-imineCHEMBL61743SCHEMBL177520NSC-218383SDCCGMLS-0065877.P001AC-266933-isoquinolylamine
Database identifiers
- CAS
25475-67-6- PubChem CID
- 311869
- DTXSID
DTXSID50903057- ChEMBL
CHEMBL61743- UNII
- AEY32ZN5CU
- EC Number
- 662-877-1
- Nikkaji
- J88.362J
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
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 154 · 154-156°C
- Boiling point
- 331.2 · 331.2±15.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.05 · 5.05(at 20℃)
- form
- solid
- color
- Yellow/green
- InChI
- InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
- InChIKey
- VYCKDIRCVDCQAE-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=CC=C2)C=C(N)N=1
- CAS DataBase Reference
- 25475 · 25475-67-6(CAS DataBase Reference)
- FDA UNII
- 32 ZN5CU · AEY32ZN5CU
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- hs_code
- 2933491090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Related reactions
55 records
Compound notes
Loading…