3-O-Tolyloxy-propylamine

CAT: 0127-OR952780-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR952780-01Size:250 mg

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CAS Number

50911-61-0

MDL Number

MFCD05053655

Purity

95%

Smiles

Cc1ccccc1OCCCN

Chemical Information

1-(3-Aminopropoxy)-2-methylbenzene

CAS Number	50911-61-0
PubChem CID	3152106
IUPAC Name	3-(2-methylphenoxy)propan-1-amine
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	2.1
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	116

SMILES

CC1=CC=CC=C1OCCCN

InChI

InChI=1S/C10H15NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3

InChIKey

HQOJWFLRPSWMBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50911-61-0

CID: 3152106

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	165.115364102
Monoisotopic Mass	165.115364102
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	116
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
OR1091094-01	3- ((o-tolyloxy) methyl) benzaldehyde
OR1067058-01	3-Methyl-4- (o-tolyloxy) aniline
OR1095119-01	3- ((o-tolyloxy) methyl) benzoic acid
OR1093122	2- (O-tolyloxy) ethanol
OR1048023-01	2- (o-Tolyloxy) isoindoline-1,3-dione
OR1082395-01	(3- ((o-tolyloxy) methyl) phenyl) boronic acid
OR1025104-01	Ethyl 2- (O-Tolyloxy) Acetate
OR90643-01	2- (o-Tolyloxy) propanoic acid
OR1024804-01	1- (O-Tolyloxy) Propan-2-Ol
OR1084692-01	2- (o-tolyloxy) pyrimidine-5-carbaldehyde

Catalog	Name
ACA91161-01	3-o-Tolyloxy-propylamine
sc-313488	3-p-Tolyloxy-propylamine
sc-313205	3-m-Tolyloxy-propylamine
sc-298849	3- (o-Tolyloxy) piperidine
sc-275851	3- (o-Tolyloxy) pyrrolidine
ABA17335-01	3-o-Tolyloxy-propionic acid
IKB54520	Methyl- (3-o-tolyloxy-propyl) -amine
sc-316949	4-o-Tolyloxy-benzylamine
sc-262118	4-o-Tolyloxy-piperidine
461131-01	O- (p-Tolyloxy) benzoic Acid