AG000D6V

116753-50-5 | 3-(3-Chlorophenoxy)propan-1-amine HCl

AG000D6V

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CAS Number	116753-50-5
Catalog Number	AG000D6V(AGN-PC-0N4W5S)
Chemical Name	3-(3-Chlorophenoxy)propan-1-amine HCl
IUPAC Name	3-(3-chlorophenoxy)propan-1-amine
InChI	InChI=1S/C9H12ClNO/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7H,2,5-6,11H2
InChI Key	KZQPDVZJHZMSKO-UHFFFAOYSA-N
MDL Number	MFCD06800437
Molecular Formula	C9H12ClNO
Molecular Weight	185.6507
SMILES	NCCCOC1=CC(Cl)=CC=C1
Synonyms	3-(3-Chlorophenoxy)propylamine, 116753-50-5, 3-(3-chlorophenoxy)propan-1-amine, [3-(3-Chlorophenoxy)propyl]amine, 3-(3-chlorophenoxy)-1-Propanamine, PubChem19181, 3-(3-chlorophenoxy)propan-1-aminehydrochloride, SCHEMBL6846799, SCHEMBL6852942, 3-(3-chlorophenoxy)-propylamine, CTK7E8511, DTXSID80440309, KZQPDVZJHZMSKO-UHFFFAOYSA-N, KS-000009HI, ZX-AT002929, 1-(3-aminopropoxy)-3-chlorobenzene, MFCD06800437, OR5919, ZINC16124134, AKOS000195223, 1-Propanamine, 3-(3-chlorophenoxy)-, BBV-090250, PS-5520, RTR-043322, AJ-68279, SY008299, AB1001079, AX8174032, BB0220211, DB-060918, TR-043322, 4CH-004021, BB 0220211, FT-0701969, MFCD06800437 (95%), 3-(3-Chlorophenoxy)-1-propanamine, AldrichCPR, null, CID10465025, 22246-02-2,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.651g/mol
Monoisotopic Mass	185.061g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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