(4-Propoxyphenyl) methanamine

CAT: 0127-OR1040730-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1040730-01Size:100 mg

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CAS Number

21244-33-7

MDL Number

MFCD03411010

Purity

98%

Smiles

CCCOC1=CC=C(C=C1)CN

Chemical Information

(4-Propoxyphenyl)methanamine

CAS Number	21244-33-7
PubChem CID	7016228
IUPAC Name	(4-propoxyphenyl)methanamine
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	1.6
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	108

SMILES

CCCOC1=CC=C(C=C1)CN

InChI

InChI=1S/C10H15NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3

InChIKey

RBILQKHLZVEMQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21244-33-7

CID: 7016228

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	1.6
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	108
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
OR927946-01	(3-Propoxyphenyl) methanamine
OR1003789-01	(4-Propoxyphenyl) methanol
OR1081293-01	Cyclohexyl (4-propoxyphenyl) methanone
OR361556-01	4- (4'-Propoxyphenyl) phenylboronic acid
OR1083367-01	(4-bromophenyl) (4-propoxyphenyl) methanone
OR1026887-01	1- (4-Propoxyphenyl) Ethanone
OR1085694-01	Methyl (4-propoxyphenyl) sulfane
OR1003903-01	3- (4-Propoxyphenyl) acrylamide
OR91415-01	3- (4-Propoxyphenyl) propanoic acid
OR22073-01	4-oxo-4- (4-propoxyphenyl) butanoic acid

Catalog	Name
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