Cas no 62331-10-6 ( )
structure
Product Name:
CAS No:62331-10-6
MF:C12H18N2O3
MW:238.282923221588
CID:956503
PubChem ID:297707
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N,N-dimethyl-N'-(3,4,5-trimethoxyphenyl)methanimidamide
- AC1L6S14
- N,N-dimethyl-N'-(3,4,5-trimethoxyphenyl)imidoformamide
- NSC168968
- NSC-168968
- 62331-10-6
- DTXSID10305078
-
-
- Inchi： 1S/C12H18N2O3/c1-14(2)8-13-9-6-10(15-3)12(17-5)11(7-9)16-4/h6-8H,1-5H3/b13-8+
- InChI Key： BFHGYCACNXVILX-MDWZMJQESA-N
- SMILES： O(C)C1C(=CC(=CC=1OC)/N=C/N(C)C)OC
Computed Properties
- Exact Mass: 238.13200
- Monoisotopic Mass: 238.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 232
- 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: 1.5
- Topological Polar Surface Area: 43.3?2
Experimental Properties
- Density: 1.04
- Boiling Point: 356.1°C at 760 mmHg
- Flash Point: 169.1°C
- Refractive Index: 1.486
- PSA: 43.29000
- LogP: 1.93380
Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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