Cas no 57323-73-6 (Benzenecarboximidamide, 3-(phenoxymethyl)-)
57323-73-6 structure
Product Name:Benzenecarboximidamide, 3-(phenoxymethyl)-
CAS No:57323-73-6
MF:C14H14N2O
MW:226.273763179779
CID:345778
PubChem ID:12222233
Update Time:2025-04-19
Benzenecarboximidamide, 3-(phenoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide, 3-(phenoxymethyl)-
- 3-(phenoxymethyl)benzenecarboximidamide
- 57323-73-6
- CHEMBL294703
- NCGC00335264-01
- 3-amidinobenzyl phenyl ether
- AKOS000179415
- AB01328121-02
- BDBM50071050
- DTXSID10481149
-
- Inchi： 1S/C14H14N2O/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H3,15,16)
- InChI Key： RZNBPLWRIVTCIZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC1C=CC=C(C(=N)N)C=1
Computed Properties
- Exact Mass: 226.11072
- Monoisotopic Mass: 226.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- 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: 2.4
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- PSA: 59.1
Benzenecarboximidamide, 3-(phenoxymethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
57323-73-6 (Benzenecarboximidamide, 3-(phenoxymethyl)-) Related Products
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