CAS 39630-25-6 2-(Piperidine-1-carbonyl)aniline (HCID 558730)

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Basic information

CAS: 39630-25-6
Standard SMILES: Nc1ccccc1C(=O)N1CCCCC1
InChIKey: YJTQPHOSNYIGPC-UHFFFAOYSA-N
Molecular formula: C12H16N2O
Average molar mass: 204.27 g/mol
Monoisotopic mass: 204.12626313

Names & identifiers

Preferred name: 2-(Piperidine-1-carbonyl)aniline
IUPAC: (2-aminophenyl)-piperidin-1-ylmethanone
English name: (2-aminophenyl)-(1-piperidyl)methanone
Molecular formula: C12H16N2O
Molecular weight: 204.27

Names & synonyms

2-(piperidine-1-carbonyl)anilineRefChem:461924877-624-239630-25-6(2-aminophenyl)(piperidin-1-yl)methanone2-(piperidin-1-ylcarbonyl)aniline[2-(Piperidin-1-ylcarbonyl)phenyl]amine(2-aminophenyl)-(1-piperidyl)methanone(2-aminophenyl)-piperidin-1-ylmethanoneMFCD004487371-(2-aminobenzoyl)piperidine2-aminophenyl piperidyl ketone

Show more names

2-methylthiazole-34-carboxylic acid(2-aminophenyl)-piperidino-methanoneMethanone,(2-aminophenyl)-1-piperidinyl-(2-aminophenyl)-(1-piperidyl)methanone HCl[2-(piperidin-1-ylcarbonyl)phenyl]amine hydrochloride

2-(1-Piperidinylcarbonyl)aniline(2-aminophenyl)(1-piperidinyl)methanoneBAS 00884076Oprea1_206998SCHEMBL2302867SCHEMBL8396517DTXSID20339788Piperidine, 1-(2-aminobenzoyl)-

Database identifiers

CAS: 39630-25-6
PubChem CID: 558730
DTXSID: DTXSID20339788
EC Number: 877-624-2
Nikkaji: J2.435.561F

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 77.5 · 77.5-79 °C
Boiling point: 388.6 · 388.6±25.0 °C(Predicted)
Density: 1.155 · 1.155±0.06 g/cm3(Predicted)
pka: 2.32 · 2.32±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H319-H335-H302-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501