Basic information
- CAS
21868-41-7- Standard SMILES
Nc1nc(CCl)nc(N2CCOCC2)n1- InChIKey
MFAGDEITRDZSFJ-UHFFFAOYSA-N- Molecular formula
- C8H12ClN5O
- Average molar mass
- 229.67 g/mol
- Monoisotopic mass
- 229.0730377
Names & identifiers
- Preferred name
- s-Triazine, 2-amino-4-(chloromethyl)-6-morpholino-
- IUPAC
- 4-(chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
- English name
- 4-(chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
- Molecular formula
- C8H12ClN5O
- Molecular weight
- 229.67
Names & synonyms
21868-41-7s-Triazine, 2-amino-4-(chloromethyl)-6-morpholino-BRN 1217790DTXSID701762662-Amino-4-(chloromethyl)-6-morpholino-s-triazineRefChem:379675DTXCID10987574-(chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine4-(chloromethyl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine4-(Chloromethyl)-6-morpholino-1,3,5-triazin-2-amineMFCD016792022-Amino-4-chloromethyl-6-morpholino-1,3,5-triazine
Show more names
AKOS VGYB0001230TIMTEC-BB SBB001690[4-(chloromethyl)-6-morpholino-s-triazin-2-yl]amine
4-(Chloromethyl)-6-(4-morpholinyl)-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-(4-morpholinyl)-AF52CHEMBL1972887SCHEMBL30192927MFAGDEITRDZSFJ-UHFFFAOYSA-NALBB-010207NSC686790
Database identifiers
- CAS
21868-41-7- PubChem CID
- 210892
- DTXSID
DTXSID70176266
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
- Toxicity
- 500 mg/kg · mouse,LD,oral,> 500mg/kg (500mg/kg),Indian Journal of Chemistry. Vol. 6, Pg. 691, 1968.
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
- Toxicity
- mouse,LD,oral,> 500mg/kg (500mg/kg),Indian Journal of Chemistry. Vol. 6, Pg. 691, 1968.
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers7 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
SPECS[email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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