Cas no 766503-59-7 (Benzenemethanamine,4-(2-amino-1-methylethoxy)-)
766503-59-7 structure
Product Name:Benzenemethanamine,4-(2-amino-1-methylethoxy)-
CAS No:766503-59-7
MF:C10H16N2O
MW:180.246842384338
CID:550823
PubChem ID:45091257
Update Time:2025-04-19
Benzenemethanamine,4-(2-amino-1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,4-(2-amino-1-methylethoxy)-
- Benzenemethanamine, 4-(2-amino-1-methylethoxy)- (9CI)
- 2-[4-(aminomethyl)phenoxy]propan-1-amine
- DTXSID00666786
- 766503-59-7
- 2-[4-(Aminomethyl)phenoxy]-1-propanamine
-
- Inchi： 1S/C10H16N2O/c1-8(6-11)13-10-4-2-9(7-12)3-5-10/h2-5,8H,6-7,11-12H2,1H3
- InChI Key： DKFYCCCICFBICE-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CN)=CC=1)C(C)CN
Computed Properties
- Exact Mass: 180.12638
- Monoisotopic Mass: 180.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 133
- 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
- Topological Polar Surface Area: 61.3A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 61.27
Benzenemethanamine,4-(2-amino-1-methylethoxy)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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