Cas no 646068-89-5 (Benzamide, 3-[(1-methylethyl)amino]-)
646068-89-5 structure
Product Name:Benzamide, 3-[(1-methylethyl)amino]-
CAS No:646068-89-5
MF:C10H14N2O
MW:178.230962276459
CID:421210
PubChem ID:28650611
Update Time:2025-04-19
Benzamide, 3-[(1-methylethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 3-[(1-methylethyl)amino]-
- 3-(propan-2-ylamino)benzamide
- 646068-89-5
- DTXSID30651544
- SCHEMBL13841107
- 3-[(Propan-2-yl)amino]benzamide
- Z266377268
- AKOS009051198
-
- Inchi: 1S/C10H14N2O/c1-7(2)12-9-5-3-4-8(6-9)10(11)13/h3-7,12H,1-2H3,(H2,11,13)
- InChI Key: ITSBDRULHHXTFE-UHFFFAOYSA-N
- SMILES: O=C(C1=CC=CC(=C1)NC(C)C)N
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: 3
- Complexity: 180
- 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: 1.6
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Benzamide, 3-[(1-methylethyl)amino]- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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