CAS 16728-64-6 | 1-Propanamine, 3-(phenylmethoxy)- | CAS Number 16728-64-6

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16728-64-6 | 1-Propanamine, 3-(phenylmethoxy)-

CAS No: 16728-64-6 Catalog No: AG001X9L MDL No:MFCD07339550

Product Description

Catalog Number:

AG001X9L

Chemical Name:

1-Propanamine, 3-(phenylmethoxy)-

CAS Number:

16728-64-6

Molecular Formula:

C10H15NO

Molecular Weight:

165.2322

MDL Number:

MFCD07339550

IUPAC Name:

3-phenylmethoxypropan-1-amine

InChI:

InChI=1S/C10H15NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2

InChI Key:

QFHLJYPKYWISHS-UHFFFAOYSA-N

SMILES:

NCCCOCc1ccccc1

Properties

Complexity:

100

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.236g/mol

Monoisotopic Mass:

165.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
High yielding selective access to spirocyclopropanated 5-oxopiperazine-2-carboxylates and 1,4-diazepane-2,5-diones from methyl 2-chloro-2-cyclopropylideneacetate.	Organic & biomolecular chemistry 20081021