Cas no 771581-06-7 (Phenol,3,4-bis(aminomethyl)-)
Phenol,3,4-bis(aminomethyl)- structure
Product Name:Phenol,3,4-bis(aminomethyl)-
CAS No:771581-06-7
MF:C8H12N2O
MW:152.193681716919
CID:551700
PubChem ID:45082970
Update Time:2025-04-19
Phenol,3,4-bis(aminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3,4-bis(aminomethyl)-
- Phenol, 3,4-bis(aminomethyl)- (9CI)
- 3,4-bis(aminomethyl)phenol
- 771581-06-7
- AKOS006294785
- MB03721
-
- Inchi： 1S/C8H12N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H,4-5,9-10H2
- InChI Key： UEUIVLWXCNBPTQ-UHFFFAOYSA-N
- SMILES： OC1C=CC(CN)=C(C=1)CN
Computed Properties
- Exact Mass: 152.095
- Monoisotopic Mass: 152.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.3A^2
- XLogP3: -0.7
Phenol,3,4-bis(aminomethyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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