CAS 5399-22-4 Dodecanohydrazide (HCID 219621)

Substructure search Find similar structures

Basic information

CAS: 5399-22-4
Standard SMILES: CCCCCCCCCCCC(=O)NN
InChIKey: YTQHSQQSLTYMSL-UHFFFAOYSA-N
Molecular formula: C12H26N2O
Average molar mass: 214.35 g/mol
Monoisotopic mass: 214.20451346

Names & identifiers

Preferred name: Dodecanohydrazide
IUPAC: dodecanehydrazide
English name: Dodecanohydrazide
Molecular formula: C12H26N2O
Molecular weight: 214.35

Names & synonyms

dodecanehydrazideDodecanohydrazide5399-22-4Lauric acid hydrazideDodecanoic hydrazideDodecanoic acid, hydrazideMFCD00025132Dodecanoic acid hydrazideLauric acid, hydrazideLauroylhydrazineDodec acid hydrdodecanoyl hydrazine

Show more names

AKOS B014976laurohydrazideLauryl hydrazineART-CHEM-BB B014976DODECANOIC HYDRAZID

Maybridge1_008355SCHEMBL998990HMS565D17DTXSID90277204NSC1136CHEBI:183765YTQHSQQSLTYMSL-UHFFFAOYSA-NALBB-001053

Database identifiers

CAS: 5399-22-4
PubChem CID: 219621
DTXSID: DTXSID90277204
ChEBI: CHEBI:183765
EC Number: 676-506-6
Nikkaji: J27.721E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 15
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 104.5 °C · 104.5 °C(Solv: ethanol (64-17-5))
Boiling point: 270 · 270-275 °C
Density: 0.907 · 0.907±0.06 g/cm3(Predicted)
pka: 13.29 · 13.29±0.35(Predicted)
CAS DataBase Reference: 5399 · 5399-22-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.