Cas no 88554-07-8 (1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(phenylmethyl)-)
88554-07-8 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(phenylmethyl)-
CAS No:88554-07-8
MF:C38H48N4
MW:560.814529418945
CID:628931
PubChem ID:11713817
Update Time:2025-04-19
1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(phenylmethyl)-
- 1,4,8,11-tetrabenzyl-1,4,8,11-tetrazacyclotetradecane
- SCHEMBL577331
- 88554-07-8
- 1,4,8,11-tetrabenzyl-1,4,8,11-tetraazacyclotetradecane
- DTXSID30471002
-
- Inchi： 1S/C38H48N4/c1-5-15-35(16-6-1)31-39-23-13-24-41(33-37-19-9-3-10-20-37)29-30-42(34-38-21-11-4-12-22-38)26-14-25-40(28-27-39)32-36-17-7-2-8-18-36/h1-12,15-22H,13-14,23-34H2
- InChI Key： VJDDJZDVPGVWIQ-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCCN(CC2C=CC=CC=2)CCN(CC2C=CC=CC=2)CCCN(CC2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 560.38789755g/mol
- Monoisotopic Mass: 560.38789755g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 42
- Rotatable Bond Count: 8
- Complexity: 561
- 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: 6.8
- Topological Polar Surface Area: 13?2
1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(phenylmethyl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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