Hexamethylenediamine

CAT: 0024-sc-397926BSize: 500 gDry Ice: NoHazardous: No

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CAT#:0024-sc-397926BSize:500 g

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CAS Number

124-09-4

Chemical Information

Hexamethylenediamine

Hexane-1,6-diamine is a C6 alkane-alpha,-diamine. It has a role as a human xenobiotic metabolite. It derives from a hydride of a hexane.

CAS Number	124-09-4
PubChem CID	16402
IUPAC Name	hexane-1,6-diamine
Molecular Formula	C6H16N2
Molecular Weight	116.20
XLogP	-0.2
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	8
Formal Charge	0
Complexity	31

SMILES

C(CCCN)CCN

InChI

InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

InChIKey

NAQMVNRVTILPCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124-09-4

CID: 16402

Formula: C6H16N2

MW: 116.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.20
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	116.131348519
Monoisotopic Mass	116.131348519
Topological Polar Surface Area	52 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	31.5
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

Catalog	Name
sc-250108A	Hexamethyleneimine
sc-250108	Hexamethyleneimine
sc-236048	N-Hexylethylenediamine
sc-500935	N-Hexylethylenediamine hydrochloride
sc-273822	2- (3-Piperidinyl) hexamethyleneimine
sc-269632	N- (2-Hydroxyethyl) hexamethyleneimine
sc-302954	1-[4- (Ethylsulfonyl) -2-nitrophenyl]-hexamethyleneimine

Catalog	Name
FH16093-01	Hexamethylenediamine
FH173271-01	Hexamethylenediamine carbamate
H04840-01	Hexamethylenediamine dihydrochloride
FH61692-01	Hexamethylenediamine adipate
90026488	Hexamethylenediamine (Crystalline powder)
165980-01	Poly (hexamethylenebicyanoguanide-hexamethylenediamine) Hydrochloride
240134-01	N-Trityl-hexamethylenediamine, polymer bound
TRC-P689200-50G	Poly(hexamethylenebicyanoguanide-hexamethylenediamine) Hydrochloride(Technical Grade)
287678-01	Poly (hexamethylenebicyanoguanide-hexamethylenediamine) hydrochloride discontinued. See 286615
H04850	Hexamethylenediamine-N, N, N', N'-tetraacetic acid 97%