1- (4-Methylphenyl) -1-propanamine

CAT: 0127-OR1038076-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1038076-01Size:1 g

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CAS Number

174636-87-4

MDL Number

MFCD02244256

Purity

97%

Smiles

CCC(C1=CC=C(C)C=C1)N

Chemical Information

1-(4-Methylphenyl)propan-1-amine

CAS Number	174636-87-4
PubChem CID	3697774
IUPAC Name	1-(4-methylphenyl)propan-1-amine
Molecular Formula	C10H15N
Molecular Weight	149.23
XLogP	2.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	103

SMILES

CCC(C1=CC=C(C=C1)C)N

InChI

InChI=1S/C10H15N/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10H,3,11H2,1-2H3

InChIKey

FWTZOQCAVLMPJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174636-87-4

CID: 3697774

Formula: C10H15N

MW: 149.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.23
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	149.120449483
Monoisotopic Mass	149.120449483
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC109967	4-Fluoro-1H-pyrazole-1-propanamine
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OR1004060-01	1- (4-Methylphenyl) cyclopropanecarbonitrile
OR1043080-01	1- (4-Methylphenyl) -Butanone
OR929381-01	1- (4-Methylphenyl) ethanol
OR1097810-01	1- (4-Methylphenyl) propyne
OR965034-01	1- (3-Pyridinyl) -1-propanamine
OR1101016-01	4-Methyl-1- (4-methylphenyl) -1-pentanone
OR905477	4- (4-Methylphenyl) -1,3-thiazole
OR919938-01	1-Ethyl-1- (4-methylphenyl) hydrazine

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