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Home> Hot Product Listed C   > CHEMBRDG-BB 5535613
59-23-4 structure

CHEMBRDG-BB 5535613

CAS No.:59-23-4
Molecular Weight:180.15588
Molecular Formula:C15H16N2O2 (isomer)
Names and Identifiers
Synonyms

N-BUTYL-6-(4-METHOXYPHENOXY)HEXAN-1-AMINE

Inchi
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
InChkey
WQZGKKKJIJFFOK-UHFFFAOYSA-N
Canonical Smiles
C(C1C(C(C(C(O1)O)O)O)O)O
Properties
Melting Point
165-168℃
Boiling Point
395.55°C at 760 mmHg
Refractive Index
80 ° (C=10, H2O)
HS Code
29400090
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S22;S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 59-23-4 EC: CHEMBRDG-BB 5535613 ·ECHA C&L Inventory for CAS: CAS: 59-23-4 EC: CHEMBRDG-BB 5535613
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:180.15588g/mol
  • Molecular Formula:C15H16N2O2
  • Exact Mass:180.063388
  • Monoisotopic Mass:180.063388
  • Complexity:151
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:110
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:5
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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