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Hexamethylenetetramine

CAT: 0286-H05040-01Size: 1K gDry Ice: NoHazardous: Yes
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CAT#:0286-H05040-01Size:1K g
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CAS Number
100-97-0
Synonyms
1,3,5,7-Tetraazaadamantane; Aminoform; Ammoform; Ammonioformaldehyde; Cystamin; Cystogen; Hexamethyleneamine; Hexamine; Methenamine; HMTA; Urotropine
UN Code
UN1328
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00006895
Hazard Statement
H228 Flammable solid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled.
DOT Name
Hexamethylenetetratramine
DOT Classification
Class 4.1
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P333+P313 IF SKIN irritation or rash occurs: Get medical advice/attention.

Chemical Information

Hexamethylenetetramine

Hexamethylenetetramine is a polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms. It has a role as an antibacterial drug. It is a polycyclic cage, a tetramine and a polyazaalkane.

CAS Number100-97-0
PubChem CID4101
IUPAC Name1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Molecular FormulaC6H12N4
Molecular Weight140.19
XLogP0.3
Topological Polar Surface Area13
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity84
SMILES
C1N2CN3CN1CN(C2)C3
InChI
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKey
VKYKSIONXSXAKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexamethylenetetramine
CAS: 100-97-0
CID: 4101
Formula: C6H12N4
MW: 140.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.19
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass140.106196400
Monoisotopic Mass140.106196400
Topological Polar Surface Area13 Ų
Heavy Atom Count10
Formal Charge0
Complexity84.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS6026899-01Hexamethylenetetramine
DCA37047Hexamethylenetetramine camphorate
sc-228294Hexamethylenetetramine tribromide
278913-01Hexamethylenetetramine discontinued
sc-470986Hexamethylenetetramine-d12
013174Hexamethylenetetramine (Hexamine) discontinued
RM-H100003-01Hexamethylenetetramine Impurity 3
RM-H100002-01Hexamethylenetetramine Impurity 2
238911-01Hexamethylenetetramine 99+% discontinued
GPC8061-YHexamethylenetetramine (Hexamine) 99.0%

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