Cas no 70085-86-8 (Butanoic acid,2-amino-4-(S-propylsulfonimidoyl)- (9CI))
70085-86-8 structure
Product Name:Butanoic acid,2-amino-4-(S-propylsulfonimidoyl)- (9CI)
CAS No:70085-86-8
MF:C7H16N2O3S
MW:208.278540611267
CID:567519
PubChem ID:25045059
Update Time:2025-04-19
Butanoic acid,2-amino-4-(S-propylsulfonimidoyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid,2-amino-4-(S-propylsulfonimidoyl)- (9CI)
- Butanoic acid, 2-amino-4-(S-propylsulfonimidoyl)-
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- Inchi： 1S/C7H16N2O3S/c1-2-4-13(9,12)5-3-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6?,13-/m0/s1
- InChI Key： NNDIRXUEVHPTNF-ZSCNLULWSA-N
- SMILES： [S@](CCC)(CCC(C(=O)O)N)(=N)=O
Computed Properties
- Exact Mass: 208.08828
- Monoisotopic Mass: 208.088163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.9
- Topological Polar Surface Area: 113
Experimental Properties
- Density: 1.33
- Boiling Point: 371.3°Cat760mmHg
- Flash Point: 178.3°C
- Refractive Index: 1.543
- PSA: 104.24
Butanoic acid,2-amino-4-(S-propylsulfonimidoyl)- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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