CAS 1027-91-4 1-Benzyl-4-(ethylamino)piperidine-4-carboxamide (HCID 70567)

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Basic information

CAS: 1027-91-4
Standard SMILES: CCNC1(C(N)=O)CCN(Cc2ccccc2)CC1
InChIKey: LPPPBYXGXSHYQJ-UHFFFAOYSA-N
Molecular formula: C15H23N3O
Average molar mass: 261.36 g/mol
Monoisotopic mass: 261.18411236

Names & identifiers

Preferred name: 1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
IUPAC: 1-benzyl-4-(ethylamino)piperidine-4-carboxamide
English name: 1-benzyl-4-(ethylamino)piperidine-4-carboxamide
Molecular formula: C15H23N3O
Molecular weight: 261.36

Names & synonyms

1-Benzyl-4-(ethylamino)piperidine-4-carboxamide1027-91-4EINECS 213-839-4DTXSID60145461NSC 72999RefChem:429918DTXCID7067952213-839-41-Benzyl-4-ethylamino-piperidine-4-carboxylic acid amideMLS0026938104-Piperidinecarboxamide, 4-(ethylamino)-1-(phenylmethyl)-HMS3085D05

Show more names

1-(benzyl)-4-(ethylamino)isonipecotamide1-BENZYL-4-ETHYLAMINO-4-PIPERIDINECARBOXAMIDE4-Ethylamino-1-phenylmethyl-4-piperidinecarboxamide4-(ethylamino)-1-(phenylmethyl)piperidine-4-carboxamide

NSC72999SCHEMBL971337NSC-72999AKOS010001772SB30252SMR001559751DB-390829CS-0440192

Database identifiers

CAS: 1027-91-4
PubChem CID: 70567
DTXSID: DTXSID60145461
EC Number: 213-839-4
Nikkaji: J217.151A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 292

Physicochemical properties

Melting point: 113.6 · 113.6-115.4 °C
Boiling point: 432.8 · 432.8±45.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
pka: 16.54 · 16.54±0.20(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 319 · H319-H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H319-H301
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P