3-amino-N-ethylpiperidine

HCID 98094

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Basic information

CAS: 6789-94-2
Standard SMILES: CCN1CCCC(N)C1
InChIKey: WAKUKXKZEXFXJP-UHFFFAOYSA-N
Molecular formula: C7H16N2
Average molar mass: 128.22 g/mol
Monoisotopic mass: 128.13134851

Names & identifiers

Preferred name: 3-amino-N-ethylpiperidine
IUPAC: 1-ethylpiperidin-3-amine
English name: 1-Ethylpiperidin-3-amine
Molecular formula: C7H16N2
Molecular weight: 128.22

Names & synonyms

6789-94-23-Amino-N-ethylpiperidine1-Ethyl-3-piperidinamineNSC 76077EINECS 229-857-0AI3-52444DTXSID40871170RefChem:497663DTXCID20818841229-857-01-ethylpiperidin-3-amine3-Piperidinamine, 1-ethyl-

Show more names

TIMTEC-BB SBB010256Amisulpride Impurity 153-amino-N-ethylpyridineASINEX-REAG BAS 14404183

Piperidine, 3-amino-1-ethyl-3-Amino-1-ethylpiperidineMFCD00044587N-Ethyl-3-aminopiperidine1-ethyl-3-piperidylamineAmisulpride Impurity 31-ETHYL-3-PIPERIDINEAMINENSC76077

Database identifiers

CAS: 6789-94-2
PubChem CID: 98094
DTXSID: DTXSID40871170
EC Number: 229-857-0
Nikkaji: J143.132C

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 83

Physicochemical properties

Boiling point: 155 ℃ · 155℃
Density: 0.898 · 0.898
refractive index: 1.4715 · 1.4715
Flash point: 61 ℃ · 61℃
storage temp.: -20 °C · -20°C Freezer
solubility: Methanol
pka: 11.06 · 11.06±0.20(Predicted)
form: Brown Thick Oily
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2933399990
risk_code: 22-37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses1-Ethyl-3-piperidinamine is an intermediate in the synthesis of 4-Amino-N-(1-ethyl-3-piperidinyl)-5-(ethylsulfonyl)-2-methoxybenzamide (A609495), which is an impurity of Amisulpride (A633250). Amisulpride EP Impurity G.