Name: Name:(1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethyl)(methyl)amine, Mixture of diastereomers
Brand: Angene
SKU: AG01B762
Rating: 90 (10 reviews)

(1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethyl)(methyl)amine, Mixture of diastereomers

CAS No.:

1493148-65-4

Catalog Number:

AG01B762

Molecular Formula:

C11H15N

Molecular Weight:

161.2435

Catalog Number:

AG01B762

Chemical Name:

(1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}ethyl)(methyl)amine, Mixture of diastereomers

CAS Number:

1493148-65-4

Molecular Formula:

C11H15N

Molecular Weight:

161.2435

MDL Number:

MFCD21117844

IUPAC Name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylethanamine

InChI:

InChI=1S/C11H15N/c1-8(12-2)11-7-9-5-3-4-6-10(9)11/h3-6,8,11-12H,7H2,1-2H3

InChI Key:

BKEIRXMOPJIBGD-UHFFFAOYSA-N

SMILES:

CNC(C1Cc2c1cccc2)C

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.248g/mol

Monoisotopic Mass:

161.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6