Biotin-PEG2-amine - CAS 138529-46-1

Catalog:	BB008778
Product Name:	Biotin-PEG2-amine
CAS:	138529-46-1
Synonyms:	2-[2-(2-Biotinyl-amino-ethoxy)-ethoxy]-ethylamine; N-Biotinyl-3,6-dioxa-1,8-octanediamine; N-Biotinyl-3,6-dioxaoctanediamine; Biotin-PEG2-Amine; N-[2-[2-(2-Aminoethoxy)ethoxy]ethyl] biotinamide; N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide; Biotin-DADOO

Technical Data

IUPAC Name:	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pentanamide
Description:	Biotin-PEG2-NH2 is used for c-terminal biotinylation.
Molecular Weight:	374.50
Molecular Formula:	C16H30N4O4S
Canonical SMILES:	C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN)NC(=O)N2
InChI:	InChI=1S/C16H30N4O4S/c17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)/t12-,13-,15-/m0/s1
InChI Key:	LWISPDYGRSGXME-YDHLFZDLSA-N
Boiling Point:	689.4±55.0°C (Predicted)
Melting Point:	109-110°C
Purity:	≥95%
Density:	1.172±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Water
Appearance:	Off-white Powder
Storage:	Store at -20°C
LogP:	1.56910

Complexity:	427
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	374.19877662
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	374.19877662
Rotatable Bond Count:	13
Topological Polar Surface Area:	140
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2