Cas no 5418-97-3 ((Z)-[4-(ethoxycarbonyl)phenyl](imino)methanaminium chloride)
methanaminium chloride structure](https://ossimg.kuujia.com/scimg/5500/5418-97-3x500.png)
5418-97-3 structure
Product Name:(Z)-[4-(ethoxycarbonyl)phenyl](imino)methanaminium chloride
CAS No:5418-97-3
MF:C10H13ClN2O2
MW:228.675421476364
CID:940014
PubChem ID:12710118
Update Time:2025-04-19
(Z)-[4-(ethoxycarbonyl)phenyl](imino)methanaminium chloride Chemical and Physical Properties
Names and Identifiers
-
- (Z)-[4-(ethoxycarbonyl)phenyl](imino)methanaminium chloride
- ethyl 4-carbamimidoylbenzoate,hydrochloride
- 4-allylox
- 4-carbamimidoyl-benzoic acid ethyl ester, hydrochloride
- 4-carbethoxy-benzamidin-hydrochlorid
- ACMC-20mvli
- Butanoic acid, 3-oxo-4-(2-propenyloxy)-, ethyl ester
- CTK0B9897
- ethyl 4-[amino(imino)methyl]benzoate hydrochloride
- ethyl 4-allyloxy-3-oxobutanoate
- ethyl 4-allyloxy-3-oxobutyrate
- ethyl 4-allyloxy-6,8-dimethoxynaphthalene-2-carboxylate
- Ethyl 4-allyloxyacetoacetate
- ethyl 4-amidinobenzoate hydrochloride
- NSC-10551
- 4-carbethoxybenzamidinium chloride
- 4-amidino-benzoic acid ethyl ester hydrochloride
- ethyl-4-amidinobenzoate hydrochloride
- AKOS024390484
- Ethyl 4-carbamimidoylbenzoate--hydrogen chloride (1/1)
- DTXSID50969138
- YQLMHXJICJZZFV-UHFFFAOYSA-N
- 5418-97-3
- DB-198245
- ethyl-4-carbamimidoylbenzoate hydrochloride
- NSC10551
- SCHEMBL5548938
- ethyl 4-carbamimidoylbenzoate hydrochloride
-
- Inchi： 1S/C10H12N2O2.ClH/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12;/h3-6H,2H2,1H3,(H3,11,12);1H
- InChI Key： YQLMHXJICJZZFV-UHFFFAOYSA-N
- SMILES： Cl.O(CC)C(C1C=CC(C(=N)N)=CC=1)=O
Computed Properties
- Exact Mass: 215.97273
- Monoisotopic Mass: 228.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 220
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 76.2A^2
Experimental Properties
- Boiling Point: 310.8°C at 760 mmHg
- Flash Point: 141.7°C
- PSA: 70.9
(Z)-[4-(ethoxycarbonyl)phenyl](imino)methanaminium chloride Related Literature
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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