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Home> Hot Product Listed 5   > 5-(pyrrolidine-1-carbonyl)-1h-pyrrol-3-amine
41382-37-0 structure

5-(pyrrolidine-1-carbonyl)-1h-pyrrol-3-amine

Iupac Name:3',6'-bis(ethylamino)-2',7'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
CAS No.:41382-37-0
Molecular Weight:414.505
Molecular Formula:C17H21N3O2S (isomer)
Names and Identifiers
Synonyms

AKOS009841197 ZINC36860784

Inchi
InChI=1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)26(18-10-8-7-9-17(18)25(29)31-26)20-12-16(4)22(28-6-2)14-24(20)30-23/h7-14,27-28H,5-6H2,1-4H3
InChkey
MGHXERGCHHWTER-UHFFFAOYSA-N
Canonical Smiles
CCNC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=CC=CC=C5C(=O)O4)C)NCC)C
Properties
Refractive Index
1.663
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:414.505g/mol
  • Molecular Formula:C17H21N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:414.194
  • Monoisotopic Mass:414.194
  • Complexity:635
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:31
  • 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:1
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