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Home> Hot Product Listed 1   > 1-Propanol,2-[[(4-methoxyphenyl)methylene]amino]-
50-89-5 structure

1-Propanol,2-[[(4-methoxyphenyl)methylene]amino]-

CAS No.:50-89-5
Molecular Weight:242.22856
Molecular Formula:C11H10N4 (isomer)
Names and Identifiers
Synonyms

1-Propanol,2-[[(4-methoxyphenyl)methylene]amino]-(9CI)

Inchi
InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChkey
IQFYYKKMVGJFEH-UHFFFAOYSA-N
Canonical Smiles
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Isomers Smiles
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Properties
Density
1.162
Melting Point
187-189℃
Refractive Index
33 ° (C=1, 1mol/L NaOH)
Alpha
18.6 o (C=3, H2O)
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S22;S24/25
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  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
[Confidential] 2007
[Confidential] 2007
more >
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:242.22856g/mol
  • Molecular Formula:C11H10N4
  • XLogP3-AA:_1.2
  • Exact Mass:242.090272
  • Monoisotopic Mass:242.090272
  • Complexity:381
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:99.1
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:3
  • 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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