Cas no 16644-57-8 (Carbamic acid,N,N'-1,6-hexanediylbis-, 1,1'-bis(phenylmethyl) ester)
16644-57-8 structure
Product Name:Carbamic acid,N,N'-1,6-hexanediylbis-, 1,1'-bis(phenylmethyl) ester
CAS No:16644-57-8
MF:C22H28N2O4
MW:384.468726158142
CID:186860
PubChem ID:262042
Update Time:2025-04-19
Carbamic acid,N,N'-1,6-hexanediylbis-, 1,1'-bis(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N,N'-1,6-hexanediylbis-, 1,1'-bis(phenylmethyl) ester
- KQMNHEJQHXLCPU-UHFFFAOYSA-N
- MLS002695285
- SCHEMBL15346534
- SMR001561192
- 16644-57-8
- NSC95228
- NSC-95228
- DTXSID30294218
- dibenzyl hexane-1,6-diyldicarbamate
- HMS3092C21
- CHEMBL1886474
-
- Inchi： 1S/C22H28N2O4/c25-21(27-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(26)28-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H,23,25)(H,24,26)
- InChI Key： KQMNHEJQHXLCPU-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C(NCCCCCCNC(=O)OCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 384.20504
- Monoisotopic Mass: 384.205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 13
- Complexity: 392
- 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: 4.1
- Topological Polar Surface Area: 76.7?2
Experimental Properties
- Density: 1.132
- Boiling Point: 577.6°C at 760 mmHg
- Flash Point: 303.1°C
- Refractive Index: 1.549
- PSA: 76.66
Carbamic acid,N,N'-1,6-hexanediylbis-, 1,1'-bis(phenylmethyl) ester Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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