Hexamine AR/ACS 99.5%

CAT: 0459-542535-01Size: 25 KgDry Ice: NoHazardous: No

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CAS Number

100-97-0

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 Number	100-97-0
PubChem CID	4101
IUPAC Name	1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Molecular Formula	C6H12N4
Molecular Weight	140.19
XLogP	0.3
Topological Polar Surface Area	13
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	84

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

CAS: 100-97-0

CID: 4101

Formula: C6H12N4

MW: 140.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	140.19
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	140.106196400
Monoisotopic Mass	140.106196400
Topological Polar Surface Area	13 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	84.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Hexamine AR/ACS 99.5%

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