6-Azaniumylhexylazanium;hexanedioate

HCID 27358
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Basic information

CAS
15511-81-6
Standard SMILES
O=C([O-])CCCCC(=O)[O-].[NH3+]CCCCCC[NH3+]
InChIKey
UFFRSDWQMJYQNE-UHFFFAOYSA-N
Molecular formula
C12H26N2O4
Average molar mass
262.35 g/mol
Monoisotopic mass
262.18925731

Names & identifiers

Preferred name
6-Azaniumylhexylazanium;hexanedioate
IUPAC
6-azaniumylhexylazanium;hexanedioate
English name
hexamethylenediamine adipate
Molecular formula
C12H26N2O4
Molecular weight
262.34584

Names & synonyms

6-azaniumylhexylazanium;hexanedioatehexamethylene diammonium adipateadipic acid hexamethylene diamineadipic acid-hexamethylenediamine saltFH61692Hexane-1,6-diamine xadipatehexamethylenediamine adipate1,6-Hexanediamine x hexanedioateHexanedioic acid/1,6-hexanediamine1,6-Hexanediamine/adipic acid,(1:x)

Database identifiers

CAS
15511-81-6
PubChem CID
27358

Properties

Computed structural properties

Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
18

Physicochemical properties

Melting point
183 · 183-184 °C
FDA UNII
756 O198H · HC756O198H
Toxicity
50 orl-mus: · LD50 orl-mus: 3600 mg/kg GISAAA 49(12),40,84

Safety & regulation

Safety data

Toxicity
LD50 orl-mus: 3600 mg/kg GISAAA 49(12),40,84

Chemistry & industry

Suppliers10 total

上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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