Dansylglycine

CAT: 0127-OR1012758-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1012758-01Size:100 mg

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CAS Number

1091-85-6

MDL Number

MFCD00037734

Purity

98%

Smiles

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)O

Chemical Information

Dansylglycine

CAS Number	1091-85-6
PubChem CID	70666
IUPAC Name	2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid
Molecular Formula	C14H16N2O4S
Molecular Weight	308.35
XLogP	2
Topological Polar Surface Area	95.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	472

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)

InChIKey

QHFXORCWAQTTGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1091-85-6

CID: 70666

Formula: C14H16N2O4S

MW: 308.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.35
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	308.08307817
Monoisotopic Mass	308.08307817
Topological Polar Surface Area	95.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	472
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