Basic information
- CAS
27018-21-9- Standard SMILES
COc1cccc2nc(N)nc(N)c12- InChIKey
FYEWYRWGCVGNJW-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- 2,4-Quinazolinediamine, 5-methoxy-
- IUPAC
- 5-methoxyquinazoline-2,4-diamine
- English name
- 5-Methoxy-quinazoline-2,4-diamine
- Molecular formula
- C9H10N4O
- Molecular weight
- 190.2
Names & synonyms
27018-21-92,4-Quinazolinediamine, 5-methoxy-DTXSID40181504RefChem:1059969DTXCID101039955-methoxyquinazoline-2,4-diamine5-Methoxy-quinazoline-2,4-diamine5-Methoxy-2,4-quinazolinediamine5-Methoxy-2,4-diaminoquinazoline137105-47-6MFCD00665830BRN 0746085
Show more names
2,4-Diamino-5-methoxyquinazoline, 2,4-Diamino-5-methoxy-1,3-benzodiazine
CHEMBL3435432,4-Diamino-5-methoxyquinazolinePY 361Oprea1_0876245-25-13-00128 (Beilstein Handbook Reference)SCHEMBL2127791SCHEMBL30912754FYEWYRWGCVGNJW-UHFFFAOYSA-N
Database identifiers
- CAS
27018-21-9- PubChem CID
- 213752
- DTXSID
DTXSID40181504- ChEMBL
CHEMBL343543- Nikkaji
- J272.198H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 208 · 208-209 °C
- Boiling point
- 484.8 · 484.8±53.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder
- pka
- 7.89 · 7.89±0.30(Predicted)
- color
- Light beige
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
1 records
Compound notes
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