Cas no 625119-85-9 (Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI))
![Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI) structure](https://ossimg.kuujia.com/scimg/625500/625119-85-9x500.png)
625119-85-9 structure
Product Name:Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI)
CAS No:625119-85-9
MF:C10H15NO
MW:165.232202768326
CID:1022698
PubChem ID:40788153
Update Time:2025-04-20
Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI)
- KBARUYSFNLJALB-MRVPVSSYSA-N
- SCHEMBL6371042
- DTXSID50654633
- BENZENAMINE, 4-[(1R)-1-METHYLPROPOXY]-
- 625119-85-9
- DB-285115
- 4-{[(2R)-Butan-2-yl]oxy}aniline
- 4-{[(1R)-1-methylpropyl]oxy}aniline
-
- Inchi： 1S/C10H15NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3/t8-/m1/s1
- InChI Key： KBARUYSFNLJALB-MRVPVSSYSA-N
- SMILES： O(C1C=CC(=CC=1)N)[C@H](C)CC
Computed Properties
- Exact Mass: 165.11545
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
Benzenamine, 4-[(1R)-1-methylpropoxy]- (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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