Endo-BCN-PEG3-NH2

CAT: 0127-OR1074047-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074047-01Size:100 mg

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CAS Number

1883512-27-3

Purity

98%

Smiles

NCCOCCOCCOCCNC(OC[C@H]1[C@]2(CCC#CCC[C@@]12[H])[H])=O

Chemical Information

endo-BCN-PEG3-NH2

CAS Number	1883512-27-3
PubChem CID	75412390
IUPAC Name	[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
Molecular Formula	C19H32N2O5
Molecular Weight	368.5
XLogP	0.9
Topological Polar Surface Area	92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Heavy Atom Count	26
Formal Charge	0
Complexity	455

SMILES

C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCN)CCC#C1

InChI

InChI=1S/C19H32N2O5/c20-7-9-23-11-13-25-14-12-24-10-8-21-19(22)26-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15,20H2,(H,21,22)/t16-,17+,18?

InChIKey

WICZFPOMYSGZNG-JWTNVVGKSA-N

Chemical Structure

2D Structure

CAS: 1883512-27-3

CID: 75412390

Formula: C19H32N2O5

MW: 368.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.5
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	368.23112213
Monoisotopic Mass	368.23112213
Topological Polar Surface Area	92 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes