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Home> Hot Product Listed 2   > 2-Propenimidamide,N-(2-chlorophenyl)-N'-(1,1-dimethylethyl)-2-methyl-
1142-20-7 structure

2-Propenimidamide,N-(2-chlorophenyl)-N'-(1,1-dimethylethyl)-2-methyl-

Iupac Name:(2S)-2-(phenylmethoxycarbonylamino)propanoic acid
CAS No.:1142-20-7
Molecular Weight:223.228
Molecular Formula:C9H13N3O4 (isomer)
Names and Identifiers
Synonyms

AC1L77DG DTXSID80317709 NSC 319879 nsc319879 nsc-319879 n'-tert-butyl-n-(2-chlorophenyl)-2-methylprop-2-enimidamide

Inchi
InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChkey
TYRGLVWXHJRKMT-QMMMGPOBSA-N
Canonical Smiles
CC(C(=O)O)NC(=O)OCC1=CC=CC=C1
Properties
Density
1.17
Melting Point
82-84℃
Vapour
7.05E-08mmHg at 25°C
Refractive Index
-14.5 ° (C=2, AcOH)
Flash Point
224.2°C
Alpha
-15 o (C=2, ACOH 24 oC)
HS Code
29242990
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
HazardClass
IRRITANT
Transport
OTH
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:223.228g/mol
  • Molecular Formula:C9H13N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:223.084
  • Monoisotopic Mass:223.084
  • Complexity:248
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:1
  • 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: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYyCILABgCI AiDSGAACAAAgAAAIiIGICIkKJiKAMTiIcAAk1gEYqAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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