Cas no 41652-83-9 ( )
structure
Product Name:
CAS No:41652-83-9
MF:C11H15N
MW:161.243502855301
CID:927212
PubChem ID:295550
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,3,7-trimethyl-2,3-dihydro-1H-indole
- 2,3,7-trimethyl-2,3-dihydro-indole
- 2,3,7-Trimethylindolin
- AC1L6OES
- NSC164919
- SureCN9791473
- NSC-164919
- SCHEMBL9791473
- AKOS022531338
- 41652-83-9
- 2,3,7-Trimethylindoline
- DTXSID70304244
-
-
- Inchi： 1S/C11H15N/c1-7-5-4-6-10-8(2)9(3)12-11(7)10/h4-6,8-9,12H,1-3H3
- InChI Key： IUWFIUDNAUTXKR-UHFFFAOYSA-N
- SMILES： N1C2C(C)=CC=CC=2C(C)C1C
Computed Properties
- Exact Mass: 161.12055
- Monoisotopic Mass: 161.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
- LogP: 3.05050
Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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