Octanamide

HCID 69414CAS 629-01-6

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCC(N)=O
InChIKey: LTHCSWBWNVGEFE-UHFFFAOYSA-N
Molecular formula: C8H17NO
Average molar mass: 143.23 g/mol
Monoisotopic mass: 143.13101416

Overview

Octanamide is a fatty amide resulting from the formal condensation of octanoic acid with ammonia. It is a primary carboxamide and a primary fatty amide. It is functionally related to an octanoic acid.

Names & identifiers

Preferred name: Octanamide
IUPAC: octanamide
English name: N-Octanamide
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

Octanamiden-Octanamide629-01-6Caprylamidecaprylic acid amideUNII-1X5804D710NSC 5515NSC-5515EINECS 211-066-71X5804D710DTXSID4060862CHEBI:142682

Show more names

Octanamidn-Octanamide>n-Octanamide

RefChem:167778DTXCID9043564211-066-7InChI=1/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10LTHCSWBWNVGEFE-UHFFFAOYSA-NMFCD00191675octanoylamineoctanoic acid amide

Database identifiers

CAS: 629-01-6
PubChem CID: 69414
DTXSID: DTXSID4060862
ChEBI: CHEBI:142682
UNII: 1X5804D710
EC Number: 211-066-7
Nikkaji: J6.885C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 91.3

Experimental & physicochemical properties

Chemical ClassesIndustrial compound -> amide

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 105 °C · 105°C
Boiling point: 261.35 °C · 261.35°C (rough estimate)
Density: 0.845 · 0.8450
refractive index: 1.4852 · 1.4852 (estimate)
solubility: soluble in Methanol
form: powder to crystal
pka: 16.76 · 16.76±0.40(Predicted)
color: White to Almost white
Water Solubility: 4.71 g/L · 4.71g/L(100 ºC)
FDA UNII: 1 X5804D710 · 1X5804D710
EPA Substance Registry System: Octanamide (629-01-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
TSCA: TSCA listed
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Octanamide

Octanamide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2924297099
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOctanamide: ACTIVE

Upstream & downstream products

Downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京翔睿科技有限公司021-021-00000000 15715199582

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: Octanamide is a fatty amide resulting from the formal condensation of octanoic acid with ammonia. It is a primary carboxamide and a primary fatty amide. It is functionally related to an octanoic acid.