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Home> Hot Product Listed 2   > 2,4-Hexadien-1-amine,3-chloro-N,N,2,5-tetramethyl-
13139-17-8 structure

2,4-Hexadien-1-amine,3-chloro-N,N,2,5-tetramethyl-

Iupac Name:benzyl (2,5-dioxopyrrolidin-1-yl) carbonate
CAS No.:13139-17-8
Molecular Weight:249.21944
Molecular Formula:C20H30BR2O3 (isomer)
Names and Identifiers
Synonyms

{2-methoxy-6-(prop-2-en-1-yl)-4-[(2,4,6-trioxotetrahydropyrimidin-5(2h)-ylidene)methyl]phenoxy}acetic acid 2,4-Hexadienylamine,3-chloro-N,N,2,5-tetramethyl- (7CI,8CI) 2-[2-methoxy-6-prop-2-enyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]acetic acid 2-{2-methoxy-6-prop-2-enyl-4-[(2,4,6-trioxo(1,3-dihydropyrimidin-5-ylidene))me thyl]phenoxy}acetic acid 2-methoxy-6-(prop-2-en-1-yl)-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxyacetic acid AC1LO5PJ AKOS000331591 DTXSID40361400 MCULE-3672374741 MOLPORT-002-199-252 sr-01000233955 SR-01000233955-1 ST056524 STK175103 ZINC4643893

Inchi
InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChkey
MJSHDCCLFGOEIK-UHFFFAOYSA-N
Canonical Smiles
C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2
Properties
Density
1.15
Melting Point
80-82℃
Vapour
1.23E-05mmHg at 25°C
Refractive Index
1.583
Safety and Handling
Risk Statements
R43
Safety Statements
S24/25
PackingGroup
I; II; III
Transport
HAZARD
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
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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:249.21944g/mol
  • Molecular Formula:C20H30BR2O3
  • Exact Mass:249.063722
  • Monoisotopic Mass:249.063722
  • Complexity:332
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:72.9
  • Heavy Atom Count:18
  • 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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