NBD-TMA

CAT: 0926-MLA97046-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-MLA97046-01Size:5 mg

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CAS Number

287970-46-1

Smiles

C[N+] (C) (C) CCNC1=CC=C (C2=NON=C12) [N+] (=O) [O-].[I-]

Molecular Formula

C11H16IN5O3

Molecular Weight

393.18 g/mol

Controlled

Chemical Information

NBD-TMA ion

CAS Number	287970-46-1
PubChem CID	53742778
IUPAC Name	trimethyl-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]azanium
Molecular Formula	C11H16N5O3+
Molecular Weight	266.28
XLogP	1
Topological Polar Surface Area	96.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	1
Complexity	327

SMILES

C[N+](C)(C)CCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]

InChI

InChI=1S/C11H16N5O3/c1-16(2,3)7-6-12-8-4-5-9(15(17)18)11-10(8)13-19-14-11/h4-5,12H,6-7H2,1-3H3/q+1

InChIKey

CVUNMBFLPVSENX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 287970-46-1

CID: 53742778

Formula: C11H16N5O3+

MW: 266.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.28
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	266.12531439
Monoisotopic Mass	266.12531439
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	19
Formal Charge	1
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZHC37025	NBD sphingosine
MN167002	NBD-Fructose
KQD66958	NBD phytosphingosine
WZB30304	NBD 18:0 ceramide
SEC86209-01	16-NBD-16:0 coenzyme A
CAR-24001-S	GM3 Labelled by NBD (Ammonium Form)
CUA23569-01	Acyl 06:0 NBD pa
OG09793-01	GM3-Ganglioside labelled by NBD ammonium
CUA22864-01	Acyl 06:0 NBD pe
CUA22733-01	Acyl 12:0 NBD pc