1-Heptanamine, N-ethyl-

HCID 48038

Notes Reactions

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Basic information

CAS: 66793-76-8
Standard SMILES: CCCCCCCNCC
InChIKey: IUZZLNVABCISOI-UHFFFAOYSA-N
Molecular formula: C9H21N
Average molar mass: 143.27 g/mol
Monoisotopic mass: 143.16739967

Names & identifiers

Preferred name: 1-Heptanamine, N-ethyl-
IUPAC: N-ethylheptan-1-amine
English name: N-Ethyl-1-heptanamine
Molecular formula: C9H21N
Molecular weight: 143.27

Names & synonyms

66793-76-8N-Ethylheptylamine1-Heptanamine, N-ethyl-ETHYLHEPTYLAMINEDTXSID10216913RefChem:432911DTXCID40139404680-162-2N-ethylheptan-1-amineN-ETHYL-1-HEPTANAMINEMFCD00049012ethyl(heptyl)amine

Show more names

N-ethyl-n-heptaneN-Ethyl-1-heptamineIbutilide Impurity 5N-Ethyl-1-heptanaminN-Ethylheptylamine>1-HeptanaMine, N-ethyl-

N-ethylheptanamineethylheptyl-amineN-ethyl-N-heptylamineN-heptyl-N-ethylamineSCHEMBL37304SCHEMBL996145SCHEMBL2536851SCHEMBL5646725

Database identifiers

CAS: 66793-76-8
PubChem CID: 48038
DTXSID: DTXSID10216913
EC Number: 680-162-2
Nikkaji: J1.079.921J

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 52.7

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -13 °C · -13°C (estimate)
Boiling point: 181 °C · 181 °C
Density: 0.77 · 0.77
refractive index: 1.424 · 1.4240
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.92 · 10.92±0.19(Predicted)
form: Liquid
color: Pale yellow
Henry's Law Constant: 5.2 · 5.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
LogP: 3.204 · 3.204 (est)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H226-H314
Precautionary statements: 260 h-P303+P361+P353-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501 · P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
RIDADR: 2733 · 2733
HS Code: 2921.19 · 2921.19.6190
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 2733
hs_code: 2921.19.6190
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_class: 3
packing_group: III
Hazard statements: H318-H226-H314
Precautionary statements: P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501