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Basic information
- CAS
2045-25-2- Standard SMILES
Nc1ncnc(N2CCOCC2)n1- InChIKey
QEJUSHCHCOTTPE-UHFFFAOYSA-N- Molecular formula
- C7H11N5O
- Average molar mass
- 181.2 g/mol
- Monoisotopic mass
- 181.09635999
Names & identifiers
- Preferred name
- 2-Amino-4-morpholino-s-triazine
- IUPAC
- 4-morpholin-4-yl-1,3,5-triazin-2-amine
- English name
- 2-Amino-4-morpholino-s-triazine
- Molecular formula
- C7H11N5O
- Molecular weight
- 181.2
Names & synonyms
4-(4-Morpholinyl)-1,3,5-triazin-2-amine2-Amino-4-morpholino-s-triazines-Triazine, 2-amino-4-morpholino-L9XJQ5P7STNSC-109885DTXSID30174405RefChem:85222DTXCID10968962045-25-21,3,5-Triazin-2-amine, 4-(4-morpholinyl)-4-Morpholino-1,3,5-triazin-2-amine4-morpholin-4-yl-1,3,5-triazin-2-amine
Show more names
(4-morpholino-s-triazin-2-yl)amine1,3,5-Triazin-2-amine, 4-(4-morpholinyl)- (9CI)4-(4-morpholinyl)-1,3,5-triazin-2-amine(SALTDATA: FREE)
4-(morpholin-4-yl)-1,3,5-triazin-2-amineMFCD00023307MLS002704188NSC 109885BRN 0188005AI3-52754NSC109885UNII-L9XJQ5P7ST
Database identifiers
- CAS
2045-25-2- PubChem CID
- 97267
- DTXSID
DTXSID30174405- ChEMBL
CHEMBL1872832- UNII
- L9XJQ5P7ST
- Nikkaji
- J48.114I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 220 · 220-221 °C(Solv: ethanol (64-17-5))
- Boiling point
- 434.8 · 434.8±55.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 4.89 · 4.89±0.10(Predicted)
- form
- solid
- InChI
- 1S/C7H11N5O/c8-6-9-5-10-7(11-6)12-1-3-13-4-2-12/h5H,1-4H2,(H2,8,9,10,11)
- InChIKey
- QEJUSHCHCOTTPE-UHFFFAOYSA-N
- SMILES
- NC1=NC=NC(N2CCOCC2)=N1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 XJQ5P7ST · L9XJQ5P7ST
- UNSPSC Code
- 12352116 · 12352116
- 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.
Safety data
- wgk
- WGK 3
- Toxicity
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06390,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
上海统亚国镁化学试剂有限公司02161303134 13166188125 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
合肥钼凯医药科技有限公司18130062233 · [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]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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