Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 2   > 2-Propanol,1-(dipropylamino)-
388082-78-8 structure

2-Propanol,1-(dipropylamino)-

Iupac Name:N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
CAS No.:388082-78-8
Molecular Weight:925.455
Molecular Formula:C11H24O3 (isomer)
Names and Identifiers
Synonyms

1-Dipropylamino-2-propanol NSC 163278

Inchi
InChI=1S/C29H26ClFN4O4S.2C7H8O3S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)
InChkey
UWYXLGUQQFPJRI-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
Properties
Density
1.75
Melting Point
240-2420C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 388082-78-8 EC: 2-Propanol,1-(dipropylamino)- ·ECHA C&L Inventory for CAS: CAS: 388082-78-8 EC: 2-Propanol,1-(dipropylamino)-
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:925.455g/mol
  • Molecular Formula:C11H24O3
  • Compound Is Canonicalized:True
  • Exact Mass:924.174
  • Monoisotopic Mass:924.174
  • Complexity:1100
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:15
  • Topological Polar Surface Area:240A^2
  • Heavy Atom Count:62
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcfB/vQBkAAAAAAAAAAAAAAAAASAAAAA8YMGDAAAAAACx/AAAHwYQCAAADA7l3i639/bIFMqo A6ZzZHDCiGk1J/AJ2Lm+b9iOLvPF//uHPSjs0BPY6ae42fOeGEACAAICCAAwgAQABAQQAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-523-87558858
  • Fax:86-523-87558858
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
Recommended Suppliers
  • Tel:86-523-87558858
  • Fax:86-523-87558858
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
<