Hexamethylene Bisacetamide

HCID 3616CAS 3073-59-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NCCCCCCNC(C)=O
InChIKey
BNQSTAOJRULKNX-UHFFFAOYSA-N
Molecular formula
C10H20N2O2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.15247788

Overview

N-(6-acetamidohexyl)acetamide is a member of acetamides.

Names & identifiers

Preferred name
Hexamethylene Bisacetamide
IUPAC
N-(6-acetamidohexyl)acetamide
English name
Hexamethylene bisacetamide
Molecular formula
C10H20N2O2
Molecular weight
200.28

Names & synonyms

3073-59-4Hexamethylene bisacetamideHexamethylenebisacetamideN,N'-HexamethylenebisacetamideHexamethylenediacetamidediacetyldiaminohexaneNSC-95580ACETAMIDE, N,N'-HEXAMETHYLENEBIS-NSC 95580N,N'-diacetyl-1,6-hexanediamineN,N'-1,6-HexanediylbisacetamideNSC95580
Show more names
N,N'-(Hexane-1,6-diyl)diacetamideN,N′1,6-DIACETAMIDOHEXANE1,6-HexanebisacetamideHEXAMETHYLENE BISCETAMIDE
LA133J59VUDTXSID2041044N, N'-DiacetylhexamethylenediamineAcetamide, N,N'-1, 6-hexanediylbis-N-{6-[(1-hydroxyethylidene)amino]hexyl}ethanimidic acidhexamethylen bisacetamideN-(6-((1-hydroxyethylidene)amino)hexyl)ethanimidic acidRefChem:786209

Database identifiers

CAS
3073-59-4
PubChem CID
3616
DTXSID
DTXSID2041044
ChEMBL
CHEMBL291481
ChEBI
CHEBI:125472
UNII
LA133J59VU
Nikkaji
J227.810C

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
14

Experimental & physicochemical properties

Solubility · 6 items

H2O > 50 (mg/mL)

pH 4 Acetate buffer > 50 (mg/mL)

pH 9 Carbonate buffer > 50 (mg/mL)

0.1 N NaOH > 50 (mg/mL)

0.1 N HCL > 50 (mg/mL)

10% Ethanol > 50 (mg/mL)

Stability/Shelf Life · 1 item

Bulk: A sample stored at 60°C in the dark for 30 days retained 99 2% of its potency (GC). Solution: Samples were dissolved in water at a concentration of 20 mg/mL and stored in clear glass containers at room temperatures under normal laboratory light for 9 days. The sample retained 98 2% of its potency (GC).

Physicochemical properties

Melting point
128 · 128-129 °C(lit.)
Boiling point
338.01 °C · 338.01°C (rough estimate)
Density
0.974 · 0.974
refractive index
1.471 · 1.4710 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
5 %, · water: soluble5%, clear, colorless

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
AC2976200
hs_code
29241990
Toxicity
human,TDLo,intravenous,4270mg/kg/10D (4270mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITINGBLOOD: THROMBOCYTOPENIA,Cancer Research. Vol. 47, Pg. 5788, 1987.
risk_code
33

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents which improve the quality of the blood, increasing the hemoglobin level and the number of erythrocytes. They are used in the treatment of anemias.

Applications

UsesN,N′-Hexamethylene bis(acetamide) was used as an inducing agent in obtaining mononuclear cells from the peripheral blood (PB) sample by Ficoll-Hypaque gradient separation.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: N-(6-acetamidohexyl)acetamide is a member of acetamides.

Related reactions

1 records
New reaction record

Linked notes

Loading…