3-Propoxypropylamine

HCID 85579CAS 16728-59-9

Substructure search Find similar structures

Basic information

Standard SMILES: CCCOCCCN
InChIKey: UTOXFQVLOTVLSD-UHFFFAOYSA-N
Molecular formula: C6H15NO
Average molar mass: 117.19 g/mol
Monoisotopic mass: 117.1153641

Names & identifiers

Preferred name: 3-Propoxypropylamine
IUPAC: 3-propoxypropan-1-amine
English name: 3-n-Propoxypropylamine
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

3-Propoxypropylamine16728-59-9EINECS 240-792-7DTXSID50168265RefChem:505051DTXCID0090756240-792-73-propoxypropan-1-amine3-N-PROPOXYPROPYLAMINE1-Propanamine, 3-propoxy-3-Propoxy-1-propanamineMFCD00129001

Show more names

Propoxypropylamine4-Oxaheptane-1-amine3-PROPOXY PROPYLAMINELABOTEST-BB LT000002713-propyloxypropylamine3-Propoxypropylamine>

1-Amino-3-propoxypropane3-propoxy-propylamine(3-propoxypropyl)amine[3-(propyloxy)propyl]amine3-Propoxy-1-propanamine #SCHEMBL238386SCHEMBL752796SCHEMBL5249461

Database identifiers

CAS: 16728-59-9
PubChem CID: 85579
DTXSID: DTXSID50168265
EC Number: 240-792-7
Nikkaji: J116.185G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 39.5

Physicochemical properties

Boiling point: 152 °C · 152°C
Density: 0 · 0,85 g/cm3
refractive index: 1.421 · 1.4210-1.4240
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 9.78 · 9.78±0.10(Predicted)
color: Colorless to Almost colorless
InChI: 1S/C6H15NO/c1-2-5-8-6-3-4-7/h2-7H2,1H3
InChIKey: UTOXFQVLOTVLSD-UHFFFAOYSA-N
SMILES: CCCOCCCN
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 210 · 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
Hazard Codes: Xn
Risk Statements: 10 · 10-34-36-22
Safety Statements: 16 · 16-24/25-45
RIDADR: 2733 · 2733
WGK Germany: 3 · WGK 3
HazardClass: 3 · 3/8
PackingGroup: III
HS Code: 2922190090 · 2922190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

Safety data

wgk: WGK 3
ridadr: 2733
hs_code: 2922190090
risk_code: 10-34-36-22
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: Xn
safety_code: 16-24/25-45
hazard_class: 3/8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H226-H314
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: 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