(S) -1- (3-Chlorophenyl) ethanamine

CAT: 0127-OR81577-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR81577-01Size:100 mg

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CAS Number

68297-62-1

MDL Number

MFCD06761823

Purity

97%

Smiles

N[C@@H](C)C1=CC=CC(Cl)=C1

Chemical Information

(S)-1-(3-chlorophenyl)ethanamine

CAS Number	68297-62-1
PubChem CID	2507691
IUPAC Name	(1S)-1-(3-chlorophenyl)ethanamine
Molecular Formula	C8H10ClN
Molecular Weight	155.62
XLogP	2.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

C[C@@H](C1=CC(=CC=C1)Cl)N

InChI

InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1

InChIKey

DQEYVZASLGNODG-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 68297-62-1

CID: 2507691

Formula: C8H10ClN

MW: 155.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.62
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	155.0501770
Monoisotopic Mass	155.0501770
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
OR951752-01	1- (3-Chlorophenyl) ethanamine
OR95909	(S) -1- (4-Chlorophenyl) ethanamine hydrochloride
OR1045919-01	(S) -1- (4-Bromo-3-chlorophenyl) ethanamine hydrochloride
OR91910-01	1- (3-Chlorophenyl) ethanamine, HCl
OR952777-01	1- (2-Chlorophenyl) ethanamine
OR75658-01	(R) -1- (3-Chlorophenyl) ethanamine hydrochloride
OR90995-01	(R) -1- (4-Chlorophenyl) ethanamine
OR1062828-01	1- (4-Chlorophenyl) ethanamine hydrochloride
OR910988-01	1- (2-Chlorophenyl) ethanamine hydrochloride
OR73118-01	(S) -1- (3,4-Dichlorophenyl) ethanamine

Catalog	Name
sc-281792	1- (3-chlorophenyl) ethanamine
465207-01	S-1- (3-Chlorophenyl) ethanamine
407828-01	1- (3-Chlorophenyl) ethanamine Hydrochloride
sc-334424	(1S) -1- (3-chlorophenyl) ethanamine
sc-339262	(1R) -1- (3-chlorophenyl) ethanamine
PBA95969	1- (3-Chlorophenyl) ethanamine HCl
NYB31820	(S) -1- (3-Chlorophenyl) ethanamine HCl
SWB41490	(R) -1- (3-Chlorophenyl) ethanamine HCl
407535-01	1- (2-Chlorophenyl) ethanamine
LYA33301-01	2- (4-Chlorophenyl) -N- (3-methoxybenzyl) ethanamine