Basic information
- CAS
2846-96-0- Standard SMILES
c1nc(N2CCOCC2)c2[nH]cnc2n1- InChIKey
MEOMXKNIFWDDGZ-UHFFFAOYSA-N- Molecular formula
- C9H11N5O
- Average molar mass
- 205.22 g/mol
- Monoisotopic mass
- 205.09635999
Names & identifiers
- Preferred name
- 6-Morpholin-4-YL-9H-purine
- IUPAC
- 4-(7H-purin-6-yl)morpholine
- English name
- 6-morpholinopurine
- Molecular formula
- C9H11N5O
- Molecular weight
- 205.22
Names & synonyms
6-(morpholin-4-yl)-9H-purine6-Morpholin-4-Yl-9h-Purine89VN5RQ48XRefChem:5440522846-96-04-(1H-Purin-6-yl)morpholine6-Morpholinopurine4-(7H-purin-6-yl)morpholine4-(9h-purin-6-yl)morpholine9H-Purine, 6-(4-morpholinyl)-MFCD004968166-morpholino-9H-purine
Show more names
6-(4-Morpholinyl)-1H-purine
6-(MORPHOLIN-4-YL)-1H-PURINENSC-3515596-(MORPHOLIN-4-YL)-7H-PURINESMR0000176386-Morpholino-1H-purineMLS0000805752wmuEINECS 220-645-3
Database identifiers
- CAS
2846-96-0- PubChem CID
- 76098
- DTXSID
DTXSID80182656- ChEMBL
CHEMBL271138- UNII
- 89VN5RQ48X
- EC Number
- 220-645-3
- Nikkaji
- J306.774B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 300 · 300-301 °C
- Boiling point
- 340.4 · 340.4±52.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.71 · 9.71±0.20(Predicted)
- FDA UNII
- 89 VN5RQ48X · 89VN5RQ48X
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers13 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]
赛纳斯特化学（欢迎点击联系）021-60343070
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [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]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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