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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanol,1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]-
893638-97-6 structure

2-Propanol,1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy]-

Iupac Name:(5-ethyl-1,2-oxazol-3-yl)methanamine
CAS No.:893638-97-6
EINECS(EC#): 241-605-1
Molecular Weight:126.159
Molecular Formula:C5H6N2O3S (isomer)
Names and Identifiers
Synonyms

1-(butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)-2-propanol 1-(butylamino)-3-[4-(7-methoxy-2,2-dimethyl-3-phenylchromen-4-yl)phenoxy]propan-2-ol 2,2-dimethyl-3-phenyl-4-p-(3-n-butylamino-2-hydroxy-propyloxyphenyl)-7-methoxychromene 2-propanol, 1-(butylamino)-3-(4-(2,2-dimethyl-7-methoxy-3-phenyl-2h-1-benzopyran-4-yl)phenoxy)- 7-methoxy-2,2-dimethyl-3-phenyl-4-[4-[2-hydroxy-3-(butylamino)propoxy]phenyl]-2h-1-benzopyran AC1MIBB2 brn 5459764 LP046200 LS-121837

Inchi
InChI=1S/C6H10N2O/c1-2-6-3-5(4-7)8-9-6/h3H,2,4,7H2,1H3
InChkey
BPTOWLOEDKFJRE-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC(=NO1)CN
Properties
Density
1.3
Boiling Point
465.6°Cat760mmHg
Computational chemical data
  • Molecular Weight:126.159g/mol
  • Molecular Formula:C5H6N2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:126.079
  • Monoisotopic Mass:126.079
  • Complexity:87.1
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52A^2
  • Heavy Atom Count:9
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBjIAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAUAAAACAzBlgQyhJBQAACp AaRyQgCAAAAkIgAgGKE2bFoAZhoAkZOAEYBmgBgISUM0AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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