Cas no 80300-21-6 (2-Amino-4,4-dichlorobutanoic acid)
80300-21-6 structure
Product Name:2-Amino-4,4-dichlorobutanoic acid
CAS No:80300-21-6
MF:C4H7Cl2NO2
MW:172.009879350662
CID:6772834
PubChem ID:581099
Update Time:2024-03-04
2-Amino-4,4-dichlorobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-amino-4,4-dichloro-
- EN300-7616611
- 80300-21-6
- 2-Amino-4,4-dichlorobutanoic acid #
- 2-Amino-4,4-dichlorobutanoic acid
- SCHEMBL935516
- DGJTWBMINQYSMS-UHFFFAOYSA-N
-
- Inchi： 1S/C4H7Cl2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)
- InChI Key： DGJTWBMINQYSMS-UHFFFAOYSA-N
- SMILES： ClC(CC(C(=O)O)N)Cl
Computed Properties
- Exact Mass: 170.9853839g/mol
- Monoisotopic Mass: 170.9853839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 107
- 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: -1.7
- Topological Polar Surface Area: 63.3?2
2-Amino-4,4-dichlorobutanoic acid Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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