(2-Azidoethyl) benzene

CAT: 0926-GAA92644-02Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-GAA92644-02Size:2.5 g

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CAS Number

6926-44-9

MDL Number

MFCD00869578

Smiles

C1=CC=C (C=C1) CCN=[N+]=[N-]

Molecular Formula

C8H9N3

Molecular Weight

147.18 g/mol

Controlled

Chemical Information

Benzene, (2-azidoethyl)-

CAS Number	6926-44-9
PubChem CID	145976
IUPAC Name	2-azidoethylbenzene
Molecular Formula	C8H9N3
Molecular Weight	147.18
XLogP	3.1
Topological Polar Surface Area	14.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	143

SMILES

C1=CC=C(C=C1)CCN=[N+]=[N-]

InChI

InChI=1S/C8H9N3/c9-11-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

DFSGPCZWEQJJID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6926-44-9

CID: 145976

Formula: C8H9N3

MW: 147.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	147.18
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	147.079647300
Monoisotopic Mass	147.079647300
Topological Polar Surface Area	14.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	143
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

Catalog	Name
MA159391-01	2'-Azidoethyl a-mannopyranoside
PPA58922-01	(2-Azidoethyl) diethylamine
ADA17870-01	2-Azidoethyl methanesulfonate
FJA28611	2-Azidoethyl β-lactopyranoside
LDA31136-01	(2-Azidoethyl) dimethylamine hydrochloride
FHD27064-01	N- (2-Azidoethyl) betulonamide
KBB39539-01	4- (2-Azidoethyl) morpholine
QGA33108-01	2-Azidoethyl 2-D-Glucopyranoside
BAC20427-01	N- (2-Azidoethyl) -2-methylpropanamide
FA32254-01	O- (2-Azidoethyl) heptaethylene glycol