N-Boc-aniline

CAT: 0127-OR912520-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR912520-01Size:5 g

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CAS Number

3422-01-3

MDL Number

MFCD00043723

Purity

95%

Smiles

CC(C)(C)OC(=O)Nc1ccccc1

Chemical Information

t-Butyl carbanilate

CAS Number	3422-01-3
PubChem CID	137930
IUPAC Name	tert-butyl N-phenylcarbamate
Molecular Formula	C11H15NO2
Molecular Weight	193.24
XLogP	2.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	190

SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)

InChIKey

KZZHPWMVEVZEFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3422-01-3

CID: 137930

Formula: C11H15NO2

MW: 193.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.24
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	193.110278721
Monoisotopic Mass	193.110278721
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	190
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
OR322111-01	4-[ (N-Boc) aminomethyl]aniline
PC52152-01	4- (Fluoromethyl) aniline, N-BOC protected
PC56900-01	2- (Fluoromethyl) aniline, N-BOC protected
OR55617-01	3- (Bromomethyl) aniline, N-BOC protected
OR55620-01	2- (Bromomethyl) aniline, N-BOC protected
OR55614-01	4- (Bromomethyl) aniline, N-BOC protected
PC56895	3- (Fluoromethyl) aniline, N-BOC protected
OR01697	2- (1-Aminoethyl) aniline, N-BOC protected
OR7704-01	2- (Aminomethyl) aniline, 1-BOC protected
OR301370-01	3- (Aminomethyl) aniline, 3-BOC protected