N-Octadecanoyl-NileBlue

Catalog Number

ACM125829245-1

CAS

125829-24-5

Structure

Synonyms

ChromoionophoreI,3-Octadecanoylimino-7-(diethylamino)-1,2-benzophenoxazine,9-(Diethylamino)-5-(octadecanoylimino)-5H-benzo[a]phenoxazine,ETH5294

IUPAC Name

N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide

Molecular Weight

583.85

Molecular Formula

C38H53N3O2

Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)N=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41

InChI

InChI=1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3

InChI Key

MYWBZQJIXVRCJC-UHFFFAOYSA-N

Melting Point

91 - 93 °C

Purity

98%+

Appearance

Violet powder

Storage

Stored at -20 °C

Emission Maximum

663 nm

Excitation Maximum

614 nm

• Catalog Number: ACM125829245-1
• CAS: 125829-24-5
• Synonyms: ChromoionophoreI,3-Octadecanoylimino-7-(diethylamino)-1,2-benzophenoxazine,9-(Diethylamino)-5-(octadecanoylimino)-5H-benzo[a]phenoxazine,ETH5294
• IUPAC Name: N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide
• Molecular Weight: 583.85
• Molecular Formula: C38H53N3O2
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)N=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41
• InChI: InChI=1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3
• InChI Key: MYWBZQJIXVRCJC-UHFFFAOYSA-N
• Melting Point: 91 - 93 °C
• Purity: 98%+
• Appearance: Violet powder
• Storage: Stored at -20 °C
• Emission Maximum: 663 nm
• Excitation Maximum: 614 nm