DBCO-Amine

CAT: 0220-CLK-A103-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0220-CLK-A103-100Size:100 mg

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Description

Dibenzylcyclooctyne-Amine

CAS Number

1255942-06-3

UNSPSC

12352200

UNSPSC Description

Biochemicals

HS Code

29339980

eClass Number

32160405

eClass Product Group

Biochemikalie (Labor, Sonstige)

Applications

Protein-peptide conjugates Peptide-small molecule conjugates 18F radiolabelling Protein-oligonucleotide conjugates Surface modification

Purity

≥ 90 % (HPLC)

Form

Solid

Color

Slightly yellow to Slightly orange

Autoclavability

—

Solubility

DCM, DMF, DMSO, THF

Smiles

NCCC(=O)N1Cc2c(C#Cc3c1cccc3)cccc2

Shipping Conditions

Shipped at ambient temperature

Storage Conditions

Store at -20 °C.

Storage Temperature

Store at -20 °C

Shelf Life

12 months after date of delivery

Chemical Information

Dibenzocyclooctyne-amine

CAS Number	1255942-06-3
PubChem CID	77078258
IUPAC Name	3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one
Molecular Formula	C18H16N2O
Molecular Weight	276.3
XLogP	1.9
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	447

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN

InChI

InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2

InChIKey

OCCYFTDHSHTFER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1255942-06-3

CID: 77078258

Formula: C18H16N2O

MW: 276.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	276.3
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	276.126263138
Monoisotopic Mass	276.126263138
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	447
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

Product Datasheet

Product MSDS

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MBS5770655	DBCO-PEG2-amine

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