Cas no 121282-96-0 (Quinazoline,5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI))
121282-96-0 structure
Product Name:Quinazoline,5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI)
CAS No:121282-96-0
MF:C9H12N2
MW:148.204981803894
CID:133295
PubChem ID:14145428
Update Time:2025-04-19
Quinazoline,5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Quinazoline,5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI)
- Quinazoline, 5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI)
- (R)-5-Methyl-5,6,7,8-tetrahydroquinazoline
- SCHEMBL13983944
- 121282-96-0
- (5R)-5-Methyl-5,6,7,8-tetrahydroquinazoline
-
- Inchi： 1S/C9H12N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h5-7H,2-4H2,1H3/t7-/m1/s1
- InChI Key： PHOWVVXYAVZXHX-SSDOTTSWSA-N
- SMILES： N1C=NC=C2C=1CCC[C@H]2C
Computed Properties
- Exact Mass: 148.10016
- Monoisotopic Mass: 148.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 136
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Quinazoline,5,6,7,8-tetrahydro-5-methyl-, (R)- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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