Cas no 61843-02-5 (Benzamide, 3-(1-methylethyl)- (9CI))
61843-02-5 structure
Product Name:Benzamide, 3-(1-methylethyl)- (9CI)
CAS No:61843-02-5
MF:C10H13NO
MW:163.216322660446
CID:1022476
PubChem ID:257954
Update Time:2025-04-20
Benzamide, 3-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 3-(1-methylethyl)- (9CI)
- 3-propan-2-ylbenzamide
- 3-(propan-2-yl)benzamide
- 3-Carbamoylcumene
- 3-Isopropyl-benzamid
- 3-Isopropyl-benzoesaeure-amid
- 3-isopropyl-benzoic acid amide
- AC1L5XWJ
- AC1Q5DCH
- m-Isopropylbenzamide
- NCIOpen2_001025
- NSC86582
- SureCN84456
- BDAQGUZTTPIATR-UHFFFAOYSA-N
- BENZAMIDE, M-ISOPROPYL-
- DB-325765
- 3-isopropyl-benzamide
- 3-ISOPROPYLBENZAMIDE
- SCHEMBL84456
- 472MCB7D4A
- DTXSID20292960
- 61843-02-5
- Benzamide, 3-(1-methylethyl)-
- 3-(1-METHYLETHYL)BENZAMIDE
- NSC-86582
-
- Inchi： 1S/C10H13NO/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H2,11,12)
- InChI Key： BDAQGUZTTPIATR-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CC(=C1)C(C)C)N
Computed Properties
- Exact Mass: 163.09979
- Monoisotopic Mass: 163.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 165
- 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: 43.1?2
Experimental Properties
- PSA: 43.09
- LogP: 2.60920
Benzamide, 3-(1-methylethyl)- (9CI) Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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