4-Butoxy-2-methylaniline

CAT: 0926-AGA74889-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-AGA74889-01Size:0.5 g

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CAS Number

150748-89-3

MDL Number

MFCD08687155

Smiles

CCCCOC1=CC (=C (C=C1) N) C

Molecular Formula

C11H17NO

Molecular Weight

179.26 g/mol

Controlled

Chemical Information

4-Butoxy-2-methylaniline

CAS Number	150748-89-3
PubChem CID	16785213
IUPAC Name	4-butoxy-2-methylaniline
Molecular Formula	C11H17NO
Molecular Weight	179.26
XLogP	2.5
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	138

SMILES

CCCCOC1=CC(=C(C=C1)N)C

InChI

InChI=1S/C11H17NO/c1-3-4-7-13-10-5-6-11(12)9(2)8-10/h5-6,8H,3-4,7,12H2,1-2H3

InChIKey

OBQQJOIBIBZNAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150748-89-3

CID: 16785213

Formula: C11H17NO

MW: 179.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.26
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	179.131014166
Monoisotopic Mass	179.131014166
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	138
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
XTB79312-01	2- (tert-Butoxy) -5-methylaniline
GWB81233-01	3-[ (tert-Butoxy) methyl]-2-methylaniline
FI64349-01	4-Iodo-2-methylaniline
FB170004-01	4- (benzyloxy) -2-methylaniline
PBA53868-01	2-Methoxy-4-methylaniline
CKA56200-01	4-Methanesulfonyl-2-Methylaniline
PEA76605-01	4-Ethoxy-2-methylaniline
YAA38544-01	2-Ethoxy-4-methylaniline
FC64323-01	4-Chloro-2-methylaniline
FC05832-01	2-Chloro-4-methylaniline