BocNH-PEG1-CH2CH2NH2

CAT: 0926-FB72998Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FB72998Size:1 g

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CAS Number

127828-22-2

Synonyms

N-Boc-2- (2-aminoethoxy) ethylamine

MDL Number

MFCD12031501

Smiles

CC (C) (C) OC (=O) NCCOCCN

Molecular Formula

C9H20N2O3

Molecular Weight

204.27 g/mol

Controlled

Chemical Information

tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate

CAS Number	127828-22-2
PubChem CID	12106198
IUPAC Name	tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
Molecular Formula	C9H20N2O3
Molecular Weight	204.27
XLogP	-0.2
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

CC(C)(C)OC(=O)NCCOCCN

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)

InChIKey

VULKFBHOEKTQSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127828-22-2

CID: 12106198

Formula: C9H20N2O3

MW: 204.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.27
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	204.14739250
Monoisotopic Mass	204.14739250
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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