4-Azidobutyl acetate

CAT: 0926-XGA46838-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XGA46838-01Size:100 mg

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CAS Number

172468-38-1

MDL Number

MFCD24452538

Smiles

CC (=O) OCCCCN=[N+]=[N-]

Molecular Formula

C6H11N3O2

Molecular Weight

157.17 g/mol

Controlled

Chemical Information

4-Azidobutanol 1-Acetate

CAS Number	172468-38-1
PubChem CID	118324351
IUPAC Name	4-azidobutyl acetate
Molecular Formula	C6H11N3O2
Molecular Weight	157.17
XLogP	1.7
Topological Polar Surface Area	40.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

CC(=O)OCCCCN=[N+]=[N-]

InChI

InChI=1S/C6H11N3O2/c1-6(10)11-5-3-2-4-8-9-7/h2-5H2,1H3

InChIKey

TUBSQBYXMAZRNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172468-38-1

CID: 118324351

Formula: C6H11N3O2

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	157.085126602
Monoisotopic Mass	157.085126602
Topological Polar Surface Area	40.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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
CHA48976-01	4-Azidobutyl isocyanate
FB155652-01	4-Bromobutyl acetate
BAA59212-01	4-Vinylbenzyl acetate
FA67057-01	4-Acetamidobenzyl acetate
HBA60444-01	4-Nonylphenyl acetate
BAA20006	4-Methoxyphenyl acetate
EM16008-01	4-Methylumbelliferyl acetate
FH15475-01	4-Hydroxyphenyl acetate
FM71292-01	4-Methylbenzyl acetate
PLB45401-01	Exendin-4 Acetate

Catalog	Name
269950-01	4-Chlorobutyl acetate
T8748-01	Exendin-4 acetate
B2106-5	Extendin-4 (acetate)
RG-P022723-01	4-Aminophenyl Acetate
GC1749-100g	4-Methylumbelliferyl acetate
OR1059993-01	4-sulfamoylphenyl acetate
sc-232590	4-Chlorobenzyl acetate
B686370	4-Bromophenol Acetate
OR1081526-01	4-methoxyphenyl acetate
sc-232784	4-Iodobutyl acetate