2- (4-Chlorophenyl) propan-2-amine

CAT: 0127-OR6114-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR6114-01Size:100 mg

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CAS Number

17797-11-4

Synonyms

1- (4-Chlorophenyl) -1-methylethylamine, 4-Chloro-alpha, alpha-dimethylbenzylamine, alpha-Amino-4-chlorocumene

MDL Number

MFCD08669636

Purity

=95%

Smiles

CC(C)(N)c1ccc(Cl)cc1

Chemical Information

1-(4-Chlorophenyl)-1-methylethylamine

CAS Number	17797-11-4
PubChem CID	11030256
IUPAC Name	2-(4-chlorophenyl)propan-2-amine
Molecular Formula	C9H12ClN
Molecular Weight	169.65
XLogP	2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

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

InChI

InChI=1S/C9H12ClN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3

InChIKey

JCUUNSQUTQELEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17797-11-4

CID: 11030256

Formula: C9H12ClN

MW: 169.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.65
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.0658271
Monoisotopic Mass	169.0658271
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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
OR950426-01	3- (4-Chlorophenyl) propan-1-amine
OR964966-01	1- (4-Chlorophenyl) propan-1-amine
OR962886-01	2- (4-Chlorophenyl) propan-2-ol
OR1002050-01	(S) -1- (4-Chlorophenyl) propan-1-amine
OR81462-01	1- (4-Chlorophenyl) propan-1-amine hydrochloride
OR1075329	3- (4-Chlorophenyl) propan-1-amine hydrochloride
OR1040776-01	(R) -1- (4-Chlorophenyl) propan-1-amine
OR1093558-01	1- (4-chlorophenyl) propan-2-ol
OR73081-01	2- (4-Methoxyphenyl) propan-2-amine
OR1045720-01	2- (4-Phenoxyphenyl) propan-2-amine

Catalog	Name
BGA94641	2- (4-Chlorophenyl) propan-2-amine hydrochloride
sc-501199	2- (3-Chlorophenyl) propan-2-amine
408096-01	1- (4-Chlorophenyl) propan-1-amine
AL BW 0945-01	3- (4-chlorophenyl) propan-1-amine
sc-309408	3- (2-Chlorophenyl) propan-1-amine
413137-01	2- (2-Chlorophenyl) propan-2-amine Hydrochloride
HTB55506-01	2- (3-Chlorophenyl) propan-1-amine
269632-01	2- (3-Chlorophenyl) propan-2-amine hydrochloride
sc-332194	1- (2-chlorophenyl) propan-2-amine hydrochloride
CQA08466-01	3- (4-Chlorophenyl) propan-1-amine hydrochloride