Cas no 71492-07-4 (Benzenecarboximidamide, monoacetate)
71492-07-4 structure
Product Name:Benzenecarboximidamide, monoacetate
CAS No:71492-07-4
MF:C9H12N2O2
MW:180.203782081604
CID:545479
PubChem ID:12238987
Update Time:2025-04-19
Benzenecarboximidamide, monoacetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide, monoacetate
- acetic acid,benzenecarboximidamide
- 71492-07-4
- DTXSID40481894
- benzamidine acetate
- XKDBKBMAWNBNRE-UHFFFAOYSA-N
- SCHEMBL2701159
-
- Inchi： 1S/C7H8N2.C2H4O2/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-5H,(H3,8,9);1H3,(H,3,4)
- InChI Key： XKDBKBMAWNBNRE-UHFFFAOYSA-N
- SMILES： OC(C)=O.NC(C1C=CC=CC=1)=N
Computed Properties
- Exact Mass: 180.08996
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 135
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87.2?2
Experimental Properties
- PSA: 87.17
Benzenecarboximidamide, monoacetate Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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