Boc-NH-PEG2-Alkyne

CAT: 0695-MD068007-2Size: InquireDry Ice: NoHazardous: No

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CAT#:0695-MD068007-2Size:Inquire

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CAS Number

869310-84-9

Chemical Information

Propargyl-PEG2-NHBoc

CAS Number	869310-84-9
PubChem CID	57757214
IUPAC Name	tert-butyl N-[2-(2-prop-2-ynoxyethoxy)ethyl]carbamate
Molecular Formula	C12H21NO4
Molecular Weight	243.30
XLogP	0.7
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	261

SMILES

CC(C)(C)OC(=O)NCCOCCOCC#C

InChI

InChI=1S/C12H21NO4/c1-5-7-15-9-10-16-8-6-13-11(14)17-12(2,3)4/h1H,6-10H2,2-4H3,(H,13,14)

InChIKey

WBOOWEAGRWGHMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 869310-84-9

CID: 57757214

Formula: C12H21NO4

MW: 243.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.30
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	243.14705815
Monoisotopic Mass	243.14705815
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	261
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