Cas no 39180-82-0 ((3-chlorophenyl)methyl(ethyl)amine)

(3-Chlorophenyl)methyl(ethyl)amine is a substituted phenylalkylamine compound featuring a chlorophenyl moiety, an ethyl group, and a methylamine functional group. This structure imparts distinct physicochemical properties, making it useful as an intermediate in organic synthesis and pharmaceutical research. The chlorine substituent at the meta-position enhances its reactivity in electrophilic aromatic substitution and cross-coupling reactions. The compound's amine group allows for further derivatization, enabling applications in the development of bioactive molecules. Its stability under standard conditions and well-defined synthetic pathway ensure consistent quality for laboratory use. Careful handling is advised due to potential reactivity and toxicity. Suitable for controlled research environments with proper safety protocols.

(3-chlorophenyl)methyl(ethyl)amine structure

39180-82-0 structure

Product Name:(3-chlorophenyl)methyl(ethyl)amine

CAS No:39180-82-0

MF:C₉H₁₂ClN

MW:169.651281356812

MDL:MFCD07110193

CID:316669

PubChem ID:457583

Update Time:2025-06-06

(3-chlorophenyl)methyl(ethyl)amine Chemical and Physical Properties

Names and Identifiers

- Benzenemethanamine,3-chloro-N-ethyl-
- (3-CHLORO-BENZYL)-ETHYL-AMINE
- N-(3-Chlorobenzyl)ethanamine
- N-ETHYL-M-CHLOROBENZYLAMINE hydrochloride
- [(3-chlorophenyl)methyl](ethyl)amine
- N-ETHYL-M-CHLOROBENZYLAMINE
- CHEMBL1185920
- DTXSID00192419
- SY045903
- N10024
- DS-9127
- FT-0717704
- MFCD00045195
- N-[(3-chlorophenyl)methyl]ethanamine
- EN300-32117
- AM100757
- CS-W001009
- 39180-82-0
- A873704
- A1-05258
- Benzenemethanamine, 3-chloro-N-ethyl-
- SCHEMBL3514622
- Z90513201
- 3-Chloro-N-ethylbenzylamine
- N-ETHYL-M-CHLOROBENZYLAMINE HYDROCHLORIDE Salt
- AKOS000151625
- DB-090241
- (3-chlorophenyl)methyl(ethyl)amine
- MDL： MFCD07110193
- Inchi： 1S/C9H12ClN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
- InChI Key： KHDVRWXQCOMYKQ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)CNCC

Computed Properties

Exact Mass: 169.06596
Monoisotopic Mass: 169.065827
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 3
Complexity: 106
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.6
Topological Polar Surface Area: 12

Experimental Properties

Density: 1.063
Boiling Point: 226.7℃ at 760 mmHg
Flash Point: 90.9°C
Refractive Index: 1.525
PSA: 12.03

(3-chlorophenyl)methyl(ethyl)amine Pricemore >>

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Alichem	A019140552-1g	N-(3-Chlorobenzyl)ethanamine	39180-82-0	95%	1g	$197.60	2023-09-02
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TRC	C611335-50mg	[(3-chlorophenyl)methyl](ethyl)amine	39180-82-0		50mg	$ 50.00	2022-06-06
TRC	C611335-100mg	[(3-chlorophenyl)methyl](ethyl)amine	39180-82-0		100mg	$ 70.00	2022-06-06
TRC	C611335-500mg	[(3-chlorophenyl)methyl](ethyl)amine	39180-82-0		500mg	$ 230.00	2022-06-06