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Acetaldehyde Ammonia Trimer

CAT: 0572-TRC-A132743-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A132743-5GSize:5 g
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CAS Number
58052-80-5
Synonyms
Hexahydro-2,4,6-trimethyl s-Triazine Trihydrate; Hexahydro-2,4,6-trimethyl-1,3,5-triazine Trihydrate
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(NC(C)N1)NC1C.[3H2O]
Molecular Formula
C6H21N3O3
Molecular Weight
183.25
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,4,6-trimethyl-1,3,5-triazinane Trihydrate
CAS Number58052-80-5
PubChem CID2723814
IUPAC Name2,4,6-trimethyl-1,3,5-triazinane;trihydrate
Molecular FormulaC6H21N3O3
Molecular Weight183.25
Topological Polar Surface Area39.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity63
SMILES
CC1NC(NC(N1)C)C.O.O.O
InChI
InChI=1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2
InChIKey
VNJBGAOFYNEMRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-trimethyl-1,3,5-triazinane Trihydrate
CAS: 58052-80-5
CID: 2723814
Formula: C6H21N3O3
MW: 183.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight183.25
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass183.15829154
Monoisotopic Mass183.15829154
Topological Polar Surface Area39.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity63.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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