Name: Name:5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-, (5E)-
Brand: Angene
SKU: AG001SW8
Rating: 90 (10 reviews)

5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-, (5E)-

CAS No.:

162227-13-6

Catalog Number:

AG001SW8

Molecular Formula:

C21H25NO

Molecular Weight:

307.4293

Catalog Number:

AG001SW8

Chemical Name:

5-Hepten-3-yn-1-ol, 2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]-, (5E)-

CAS Number:

162227-13-6

Molecular Formula:

C21H25NO

Molecular Weight:

307.4293

MDL Number:

MFCD09840779

IUPAC Name:

(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-yn-1-ol

InChI:

InChI=1S/C21H25NO/c1-21(2,17-23)14-7-4-8-15-22(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,23H,15-17H2,1-3H3/b8-4+

InChI Key:

GPEJUKJZTGFNKY-XBXARRHUSA-N

SMILES:

OCC(C#C/C=C/CN(Cc1cccc2c1cccc2)C)(C)C

Complexity:

453

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.437g/mol

Monoisotopic Mass:

307.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4