Basic information
- CAS
1127-93-1- Standard SMILES
Nc1nc(N)c2nccnc2n1- InChIKey
CITCTUNIFJOTHI-UHFFFAOYSA-N- Molecular formula
- C6H6N6
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.06539422
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,4-Diaminopteridine
- IUPAC
- pteridine-2,4-diamine
- English name
- 2,4-Diaminopteridine
- Molecular formula
- C6H6N6
- Molecular weight
- 162.15
Names & synonyms
2,4-Diaminopteridine1127-93-12,4-PteridinediamineNSC-408102RTM432Q8P2DTXSID503249802,4-NH2-pteridineRefChem:82282DTXCID10276097Pteridine-2,4-diaminePteridine, 2,4-diamino-CHEMBL336555
Show more names
NSC408102Pteridine,4-diamino-BAS 00450494UNII-RTM432Q8P2Oprea1_565138Oprea1_722181SCHEMBL478917SCHEMBL5860828
Database identifiers
- CAS
1127-93-1- PubChem CID
- 348669
- DTXSID
DTXSID50324980- ChEMBL
CHEMBL336555- UNII
- RTM432Q8P2
- EC Number
- 963-571-3
- Nikkaji
- J1.643.011K
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 278.82 °C · 278.82°C (rough estimate)
- Density
- 1.4318 · 1.4318 (rough estimate)
- refractive index
- 1.83 · 1.8300 (estimate)
- Water Solubility
- 333.2 mg/L · 333.2mg/L(20 ºC)
- FDA UNII
- 432 Q8P2 · RTM432Q8P2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
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)
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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