Basic information
- CAS
13993-61-8- Standard SMILES
c1cnc2c(c1)NCCC2- InChIKey
OALXTMWCXNPUKJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-1,5-naphthyridine
- IUPAC
- 1,2,3,4-tetrahydro-1,5-naphthyridine
- English name
- 1,2,3,4-Tetrahydro-1,5-naphthyridine
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
1,2,3,4-tetrahydro-1,5-naphthyridine13993-61-8DTXSID60426060RefChem:214426DTXCID60376894826-595-41,2,3,4-tetrahydro-[1,5]naphthyridineMFCD08444439CMLDBU000035831,5-NAPHTHYRIDINE, 1,2,3,4-TETRAHYDRO-A1AJRtetrahydro 1,5-naphthyridine
Show more names
EOS-621351,2,3,4-TETRAHYDRO-1,5-NAPHTHY1,2,3,4-Tetrahydro-1,5phthyridine
SCHEMBL220828SCHEMBL307955SCHEMBL626768SCHEMBL3197948SCHEMBL29620683OALXTMWCXNPUKJ-UHFFFAOYSA-NNAA99361AKOS009101721
Database identifiers
- CAS
13993-61-8- PubChem CID
- 6917495
- DTXSID
DTXSID60426060- EC Number
- 826-595-4
- Nikkaji
- J893.345F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 107 · 107-109 °C
- Boiling point
- 265.3 · 265.3±9.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 7.24 · 7.24±0.20(Predicted)
- form
- solid
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2933998090 · 2933998090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (66.7%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses1,2,3,4-Tetrahydro-1,5-naphthyridine can be used as SHP2 inhibitors to treat diseases.
Suppliers69 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
常州稀亚生物科技有限公司13775267187
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
5 records
Compound notes
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