Basic information
- CAS
22370-18-9- Standard SMILES
NCc1n[nH]c(=O)c2ccccc12- InChIKey
BCORFYODLSYUNB-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456191
Names & identifiers
- Preferred name
- 4-(aminomethyl)phthalazin-1(2H)-one
- IUPAC
- 4-(aminomethyl)-2H-phthalazin-1-one
- English name
- 4-(Aminomethyl)-1(2H)-phthalazinone
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
4-(aminomethyl)phthalazin-1(2H)-oneRefChem:51495522370-18-94-(Aminomethyl)-1(2H)-phthalazinone4-(aminomethyl)-2H-phthalazin-1-one1(2h)-phthalazinone, 4-(aminomethyl)-4-(aminomethyl)-1,2-dihydrophthalazin-1-one4-Aminomethyl-phthalazin-1-olCHEMBL50827334-(Aminomethyl);phthalazin-1(2H);-oneF1918-0065SDCCGMLS-0065668.P001
Show more names
Venadaparib Impurity 7Vinorelbine Impurity 17
4-(aminomethyl)-phthalazoneOprea1_270958SCHEMBL4713938SCHEMBL12050555SCHEMBL31057993DTXSID60355689BCORFYODLSYUNB-UHFFFAOYSA-NSMSSF-0044332
Database identifiers
- CAS
22370-18-9- PubChem CID
- 816623
- DTXSID
DTXSID60355689- ChEMBL
CHEMBL5082733- EC Number
- 109-189-5
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
郑州药点生物科技有限公司0311-84468392; 13619817202 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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