N- (3-Methoxypropyl) -4-methylaniline

CAT: 0926-ZGA19746-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ZGA19746-01Size:100 mg

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CAS Number

174197-46-7

MDL Number

MFCD12768249

Smiles

CC1=CC=C (C=C1) NCCCOC

Molecular Formula

C11H17NO

Molecular Weight

179.26 g/mol

Controlled

Chemical Information

N-(3-methoxypropyl)-4-methylaniline

CAS Number	174197-46-7
PubChem CID	57060896
IUPAC Name	N-(3-methoxypropyl)-4-methylaniline
Molecular Formula	C11H17NO
Molecular Weight	179.26
XLogP	2.5
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	119

SMILES

CC1=CC=C(C=C1)NCCCOC

InChI

InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h4-7,12H,3,8-9H2,1-2H3

InChIKey

WIFQIYIZBFYSDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174197-46-7

CID: 57060896

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	5
Exact Mass	179.131014166
Monoisotopic Mass	179.131014166
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	119
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
NFA56354-01	3,4-Difluoro-N-methylaniline
IJB26060-01	4- (3-Methoxypropyl) piperidine
IMB73713-01	N- (3-Aminopropyl) -4-fluoro-N-methylaniline
WCA05832	4- (3-Methoxypropyl) -3-thiosemicarbazide
ZEA34671-01	3,4,5-Trimethoxy-N-methylaniline
JYB73954-01	3,4-Dimethoxy-N-methylaniline hydrochloride
QDA23441-01	3-Chloro-4-methoxy-N-methylaniline
WTB98982-01	3-Fluoro-4-methoxy-N-methylaniline
GPA53935-01	N- (Cyclopropylmethyl) -4-methylaniline
VGA30348-01	N-Cyclobutyl-4-methylaniline

Catalog	Name
OR1067902-01	3-Methoxypropyl 4-methylbenzenesulfonate
OR1021587	4- (3-Methoxypropyl) -3-thiosemicarbazide
407881-01	1- (3-Methoxypropyl) -4-piperidinamine
TRC-M227270-250MG	1-(3-Methoxypropyl)-4-piperidinamine
TRC-B685100-1G	3-Bromo-4-methylaniline
432831-01	4-Iodo-3-methylaniline
426113-01	3-Iodo-4-methylaniline
TRC-M269523-250MG	4-Methoxy-3-methylaniline
TRC-C369075-50G	4-Chloro-3-methylaniline
sc-316043	4-Butoxy-3-methylaniline