1- (3,4-Dichlorophenyl) propan-1-amine

CAT: 0127-OR1058245-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1058245-01Size:100 mg

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CAS Number

40023-89-0

MDL Number

MFCD08899220

Purity

97%

Smiles

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

Chemical Information

1-(3,4-Dichlorophenyl)propan-1-amine

CAS Number	40023-89-0
PubChem CID	18699262
IUPAC Name	1-(3,4-dichlorophenyl)propan-1-amine
Molecular Formula	C9H11Cl2N
Molecular Weight	204.09
XLogP	3.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	140

SMILES

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

InChI

InChI=1S/C9H11Cl2N/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9H,2,12H2,1H3

InChIKey

VBWRNUHVGFPJRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40023-89-0

CID: 18699262

Formula: C9H11Cl2N

MW: 204.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.09
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	203.0268547
Monoisotopic Mass	203.0268547
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	140
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
OR1039546-01	1- (2,4-Dichlorophenyl) propan-1-amine
OR1048927-01	1- (2,4-Dichlorophenyl) propan-1-amine hydrochloride
OR1065815-01	(R) -1- (3,5-Dichlorophenyl) propan-1-amine hydrochloride
OR1057853-01	3-Chloro-1- (3,4-dichlorophenyl) propan-1-one
OR1100231-01	1- (3,4-Dichlorophenyl) -3- (dimethylamino) propan-1-one
OR85270-01	1- (3,4-Dichlorophenyl) cyclopropan-1-amine
OR1009716-01	2- (3,5-Dichlorophenyl) Propan-2-Amine
OR950426-01	3- (4-Chlorophenyl) propan-1-amine
PC911117-01	3- (4-Fluorophenoxy) propan-1-amine
PC1003799-01	3- (4-Fluorophenyl) propan-1-amine

Catalog	Name
XFA49888-01	3- (2,4-dichlorophenyl) propan-1-amine
PBA95989-01	3- (3,4-Dichlorophenyl) propan-1-amine hydrochloride
RDA89684-01	2- (3,4-Dichlorophenyl) propan-2-amine
HBA56077-01	1- (2,4-Dichlorophenyl) propan-2-amine
DHA06333-01	3- (2,6-Dichlorophenyl) propan-1-amine
UCA95782-01	[ (3,4-Dichlorophenyl) methyl] (propan-2-yl) amine
PBA96005-01	3- (3,4-Dichlorophenyl) propan-1-ol
DCA98412-01	1- (3,4-Dichlorophenyl) propan-1-ol
PDA65571-01	2- (2,6-Dichlorophenyl) propan-1-amine
HHC67812-01	2- (3,4-Dichlorophenyl) propan-1-ol