BDP Fl alkyne

Catalog Number

ACM302795842

CAS

302795-84-2

Synonyms

3-(5,5-difluoro-7,9-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-N-(prop-2-yn-1-yl)propanamide

IUPAC Name

3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-prop-2-ynylpropanamide

Molecular Weight

329.15

Molecular Formula

C17H18BF2N3O

Canonical SMILES

[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCC#C)C)C)(F)F

InChI

InChI=1S/C17H18BF2N3O/c1-4-9-21-17(24)8-7-14-5-6-15-11-16-12(2)10-13(3)22(16)18(19,20)23(14)15/h1,5-6,10-11H,7-9H2,2-3H3,(H,21,24)

InChI Key

MNNMNNMEHKMADE-UHFFFAOYSA-N

Purity

95%

Appearance

Orange solid

Storage

-20 °C in the dark

• Catalog Number: ACM302795842
• CAS: 302795-84-2
• Synonyms: 3-(5,5-difluoro-7,9-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-N-(prop-2-yn-1-yl)propanamide
• IUPAC Name: 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-prop-2-ynylpropanamide
• Molecular Weight: 329.15
• Molecular Formula: C17H18BF2N3O
• Canonical SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCC#C)C)C)(F)F
• InChI: InChI=1S/C17H18BF2N3O/c1-4-9-21-17(24)8-7-14-5-6-15-11-16-12(2)10-13(3)22(16)18(19,20)23(14)15/h1,5-6,10-11H,7-9H2,2-3H3,(H,21,24)
• InChI Key: MNNMNNMEHKMADE-UHFFFAOYSA-N
• Purity: 95%
• Appearance: Orange solid
• Storage: -20 °C in the dark