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Home> Hot Product Listed M   > MOLPORT-006-867-710
459-73-4 structure

MOLPORT-006-867-710

Iupac Name:ethyl 2-aminoacetate
CAS No.:459-73-4
Molecular Weight:103.121
Molecular Formula:C12H13N3O (isomer)
Names and Identifiers
Synonyms

AKOS016852617 MCULE-6474369599 n-{4-[2-(8-chloro-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-7-yl)acetyl]phenyl}-3-methylbutanamide n-{4-[2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]phenyl}-3-methylbutanamide PB-16246390 Z18371349 ZINC10806999

Inchi
InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
InChkey
NTNZTEQNFHNYBC-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CN
Properties
Vapour
24.7mmHg at 25°C
Refractive Index
1.422
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:103.121g/mol
  • Molecular Formula:C12H13N3O
  • Compound Is Canonicalized:True
  • Exact Mass:103.063
  • Monoisotopic Mass:103.063
  • Complexity:62.7
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:7
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAAAADhgAYCCABABAAI AACQCAAAAAAAAAAAAICAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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