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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-5-ylmethyl)-2-oxoeth...
6484-52-2 structure

2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-5-ylmethyl)-2-oxoethyl]-6-oxo-

Iupac Name:azanium;nitrate
CAS No.:6484-52-2
EINECS(EC#): 240-146-4
Molecular Weight:80.04340
Molecular Formula:C24H26N2O5 (isomer)
Names and Identifiers
Synonyms

2-piperidinecarboxamide, n-(2-(4-(aminocarbonyl)-3-thiazolidinyl)-1-(1h- imidazol-4-ylmethyl)-2-oxoethyl)-6-oxo- 2-Piperidinecarboxamide,N-[2-[4-(aminocarbonyl)-3-thiazolidinyl]-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]-6-oxo-(9CI) 3-[3-(1h-imidazol-5-yl)-2-[(6-oxopiperidine-2-carbonyl)amino]propanoyl]-1,3-thiazolidine-4-carboxamide AC1L3XP1 AC1Q5J50 AM029315 n-[1-(4-carbamoyl-1,3-thiazolidin-3-yl)-3-(1h-imidazol-4-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide SCHEMBL13322941

Inchi
InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1
InChkey
DVARTQFDIMZBAA-UHFFFAOYSA-O
Canonical Smiles
[NH4+].[N+](=O)([O-])[O-]
Properties
Density
1.047
Melting Point
169°C(lit.)
Flash Point
350.3°C
HS Code
3102300000
Safety and Handling
Risk Statements
R36/37/38; R8; R9
Safety Statements
S17-S26-S36-S37/39
HazardClass
5.1
PackingGroup
III
Transport
UN 1942 5.1/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Oxidizing solids, Category 3

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H272 May intensify fire; oxidizer

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P220 Keep away from clothing and other combustible materials.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

Response

P370+P378 In case of fire: Use ... to extinguish.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:80.04340g/mol
  • Molecular Formula:C24H26N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:80.022
  • Monoisotopic Mass:80.022
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.9A^2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcYADMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAUAAAAAAAAAAAAAAAAQAAB AAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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