Cas no 26130-50-7 (Benzenecarboximidamide,3-propoxy-)
26130-50-7 structure
Product Name:Benzenecarboximidamide,3-propoxy-
CAS No:26130-50-7
MF:C10H14N2O
MW:178.230962276459
CID:256095
PubChem ID:309353
Update Time:2025-04-19
Benzenecarboximidamide,3-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide,3-propoxy-
- 3-propoxybenzenecarboximidamide
- 3-Propoxybenzamidine
- Benzenecarboximidamide, 3-propoxy-
- meta-Propoxybenzamidine
- DTXSID90180764
- SCHEMBL13901353
- AKOS000177751
- 26130-50-7
- m-Propoxybenzamidine
-
- Inchi： 1S/C10H14N2O/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H3,11,12)
- InChI Key： MMPAWUCREHSLHB-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C(=N)N)C=1)CCC
Computed Properties
- Exact Mass: 178.11072
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 1.9
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- PSA: 59.1
Benzenecarboximidamide,3-propoxy- Related Literature
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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