AG000300

100841-00-7 | 1-Propanamine, 3-(4-methoxyphenoxy)-

AG000300

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CAS Number	100841-00-7
Catalog Number	AG000300(AGN-PC-0KPW53)
Chemical Name	1-Propanamine, 3-(4-methoxyphenoxy)-
IUPAC Name	3-(4-methoxyphenoxy)propan-1-amine
InChI	InChI=1S/C10H15NO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8,11H2,1H3
InChI Key	NCGAPYLHHZMWPI-UHFFFAOYSA-N
MDL Number	MFCD05053658
Molecular Formula	C10H15NO2
Molecular Weight	181.2316
SMILES	NCCCOC1=CC=C(OC)C=C1
Synonyms	100841-00-7, 3-(4-methoxyphenoxy)propan-1-amine, 3-(4-Methoxy-phenoxy)-propylamine, 3-(4-Methoxyphenoxy)propylamine, 1-Propanamine, 3-(4-methoxyphenoxy)-, 3-(4-methoxyphenoxy)-1-Propanamine, 1-(3-aminopropoxy)-4-methoxybenzene, PubChem19171, BAS 05307787, ACMC-1BPFR, AC1Q4DRA, AC1MK701, SCHEMBL1010741, CTK0G8604, DTXSID60389984, NCGAPYLHHZMWPI-UHFFFAOYSA-N, [3-(4-methoxyphenoxy)propyl]amine, ZINC4299010, 7280AC, MFCD05053658, 3-(4-Methoxyphenoxy)propane-1-amine, AKOS000123788, MCULE-5299200898, RTR-033792, NCGC00323340-01, AJ-50485, SY008295, AB1001075, DB-058503, TR-033792, BB 0241851, CS-0030468, FT-0677271, EN300-54271, MFCD05053658 (95%), K-0192, AB01318287-02, AB01318287-03, I05-2064, Z818727386, null, C10H15NO2, CID3152109, 174669-74-0,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.235g/mol
Monoisotopic Mass	181.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	44.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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