CAS 3367-95-1 N,N-Diethylpiperidine-3-carboxamide (HCID 18793)

Substructure search Find similar structures

Basic information

CAS: 3367-95-1
Standard SMILES: CCN(CC)C(=O)C1CCCNC1
InChIKey: ZXQKYQVJDRTTLZ-UHFFFAOYSA-N
Molecular formula: C10H20N2O
Average molar mass: 184.283 g/mol
Monoisotopic mass: 184.15756326

Names & identifiers

Preferred name: N,N-Diethylpiperidine-3-carboxamide
IUPAC: N,N-Diethylpiperidine-3-carboxamide
English name: N,N-Diethylnipecotamide
Molecular formula: C10H20N2O
Molecular weight: 184.28

Names & synonyms

LABOTEST-BB LT00159306N,N-Diethylnipeotamiden,n-diethyl-nipecotamidN,N-DiethylnipecotamideN,N-Diethylnipecotamide, tech.N,N-DiethylnipecotamideN,N-Diethylnipecotamide,75%,tech.3-(N,N-Diethylcarbamoyl)piperidinen,n-diethyl-3-piperidinecarboxamidN,N-diethylpiperidine-3-carboxamide

Database identifiers

CAS: 3367-95-1
PubChem CID: 18793
DTXSID: DTXSID40955287
UNII: HUA6N8KRA7
EC Number: 222-136-1
Nikkaji: J205.448E

Properties

Physicochemical properties

Boiling point: 111 °C6.1 · 111 °C6.1 mm Hg(lit.)
Density: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.489(lit.)
Flash point: 230 °F · >230 °F
pka: 9.59 · 9.59±0.10(Predicted)
form: liquid
InChI: 1S/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3
InChIKey: ZXQKYQVJDRTTLZ-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)C1CCCNC1
FDA UNII: 6 N8KRA7 · HUA6N8KRA7
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 1920000 · QU1920000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: QU1920000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesN,N-Diethylnipecotamide is a reactant for synthesis of: Antituberculosis drugs1 Spiroimidazolidinone NPC1L1 inhibitors2 Acyl-CoA:cholesterol acyltransferase inhibitors3 Alpha 7 nicotinic acetylcholine receptor agonist4 Antimycobacterials5 Isocyanoamides useful as starting materials in IMCR6