Name: Name:Benzenemethanamine, 3-ethynyl-N-[(3-ethynylphenyl)methyl]-
Brand: Angene
SKU: AG0023YT
Rating: 90 (10 reviews)

Benzenemethanamine, 3-ethynyl-N-[(3-ethynylphenyl)methyl]-

CAS No.:

1825394-89-5

Catalog Number:

AG0023YT

Molecular Formula:

C18H15N

Molecular Weight:

245.3184

Catalog Number:

AG0023YT

Chemical Name:

Benzenemethanamine, 3-ethynyl-N-[(3-ethynylphenyl)methyl]-

CAS Number:

1825394-89-5

Molecular Formula:

C18H15N

Molecular Weight:

245.3184

MDL Number:

MFCD29044845

IUPAC Name:

1-(3-ethynylphenyl)-N-[(3-ethynylphenyl)methyl]methanamine

InChI:

InChI=1S/C18H15N/c1-3-15-7-5-9-17(11-15)13-19-14-18-10-6-8-16(4-2)12-18/h1-2,5-12,19H,13-14H2

InChI Key:

KHKQWUSDQFBWHQ-UHFFFAOYSA-N

SMILES:

C#Cc1cccc(c1)CNCc1cccc(c1)C#C

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.325g/mol

Monoisotopic Mass:

245.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3