Cas no 175350-70-6 (Carbamic acid,(1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI))
175350-70-6 structure
Product Name:Carbamic acid,(1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI)
CAS No:175350-70-6
MF:C11H19NO2
MW:197.27406334877
CID:112004
PubChem ID:45091895
Update Time:2025-04-18
Carbamic acid,(1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI)
- Carbamic acid, (1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI)
- MFCD20482084
- 175350-70-6
- tert-butyl N-(hexa-1,5-dien-3-yl)carbamate
- starbld0037056
- N-Boc-(+/-)-hexa-1,5-dien-3-amine
- AKOS030241146
- tert-butyl N-hexa-1,5-dien-3-ylcarbamate
- TS-7582
- tert-butyl hexa-1,5-dien-3-ylcarbamate
-
- Inchi： 1S/C11H19NO2/c1-6-8-9(7-2)12-10(13)14-11(3,4)5/h6-7,9H,1-2,8H2,3-5H3,(H,12,13)
- InChI Key： XBHZTCUXADCIBI-UHFFFAOYSA-N
- SMILES： O(C(NC(C=C)CC=C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 197.14167
- Monoisotopic Mass: 197.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbamic acid,(1-ethenyl-3-butenyl)-, 1,1-dimethylethyl ester (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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