Basic information
- CAS
110-90-7- Standard SMILES
C1NCNCN1- InChIKey
LKLLNYWECKEQIB-UHFFFAOYSA-N- Molecular formula
- C3H9N3
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.0796473
Overview
1,3,5-triazinane is a triazinane and a member of 1,3,5-triazinanes.
Names & identifiers
- Preferred name
- Cyclotrimethylenetriamine
- IUPAC
- 1,3,5-triazinane
- English name
- Cyclotrimethylenetriamine
- Molecular formula
- C3H9N3
- Molecular weight
- 87.12
Names & synonyms
cyclotrimethylenetriamine110-90-7Hexahydro-1,3,5-triazine1,3,5-Triazine, hexahydro-1,3,5-triazacyclohexaneM9XXT26VWHtrimethylenetriaminehexahydro-s-triazineAI3-52753EINECS 203-814-6S-TRIAZINE, HEXAHYDRO-DTXSID8059394
Show more names
HEXAHYDRO-SYM-TRIAZINECyclotrimethylenetriamine50%aqueoussoln.
RefChem:581311DTXCID1033169203-814-61,3,5-triazinaneUNII-M9XXT26VWHSCHEMBL44386SCHEMBL363669SCHEMBL523201
Database identifiers
- CAS
110-90-7- PubChem CID
- 66971
- DTXSID
DTXSID8059394- ChEBI
CHEBI:38027- UNII
- M9XXT26VWH
- EC Number
- 203-814-6
- Nikkaji
- J193.585B
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 21.5
Physicochemical properties
- Boiling point
- 82 · 82.0±8.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.20(Predicted)
- FDA UNII
- 9 XXT26VWH · M9XXT26VWH
- EPA Substance Registry System
- 1 · 1,3,5-Triazine, hexahydro- (110-90-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine, hexahydro-: ACTIVE
Suppliers5 total
重庆科脉材料科技有限公司13370757113 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 1,3,5-triazinane is a triazinane and a member of 1,3,5-triazinanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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