AG00CLQJ

39180-82-0 | [(3-Chlorophenyl)methyl](ethyl)amine

AG00CLQJ

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CAS Number	39180-82-0
Catalog Number	AG00CLQJ(AGN-PC-0JRG7Z)
Chemical Name	[(3-Chlorophenyl)methyl](ethyl)amine
IUPAC Name	N-[(3-chlorophenyl)methyl]ethanamine
InChI	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
MDL Number	MFCD00045195
Molecular Formula	C9H12ClN
Molecular Weight	169.6513
SMILES	CCNCC1=CC=CC(Cl)=C1
Synonyms	39180-82-0, N-(3-Chlorobenzyl)ethanamine, (3-Chloro-benzyl)-ethyl-amine, 3-Chloro-N-ethylbenzylamine, [(3-chlorophenyl)methyl](ethyl)amine, Benzenemethanamine, 3-chloro-N-ethyl-, N-Ethyl-M-chlorobenzylamine, N-[(3-chlorophenyl)methyl]ethanamine, AC1L9WVD, Ethyl(3-chlorobenzyl)amine, AC1Q31KY, SCHEMBL3514622, CHEMBL1185920, CTK4I1035, DTXSID00192419, KS-000009PC, ZINC2507460, Benzenemethanamine,3-chloro-N-ethyl-, MFCD00045195, AKOS000151625, CS-W001009, DS-9127, MCULE-1532638455, NE11014, AJ-36220, AK158029, AM100757, SY045903, FT-0717704, EN300-32117, MFCD00045195 (97%), A1-05258, N-ETHYL-M-CHLOROBENZYLAMINE HYDROCHLORIDE Salt, Z90513201, Benzylamine der, AIDS011084, CID457583, N-ETHYL-M-CHLOROBENZYLAMINE hydrochloride, 90389-47-2,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.066g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.652g/mol
Monoisotopic Mass	169.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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