Cas no 90390-30-0 (N-(3,5-difluorobenzyl)propan-1-amine)
90390-30-0 structure
Product Name:N-(3,5-difluorobenzyl)propan-1-amine
CAS No:90390-30-0
MF:C10H13F2N
MW:185.21372961998
CID:1951703
PubChem ID:457613
Update Time:2025-04-21
N-(3,5-difluorobenzyl)propan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- N-(3,5-difluorobenzyl)propan-1-amine
- Benzenemethanamine, 3,5-difluoro-N-propyl-
- DTXSID00238149
- N-[(3,5-difluorophenyl)methyl]propan-1-amine
- 90390-30-0
- CHEMBL1182985
-
- Inchi： 1S/C10H13F2N/c1-2-3-13-7-8-4-9(11)6-10(12)5-8/h4-6,13H,2-3,7H2,1H3
- InChI Key： SOOBCOHBHTWLOZ-UHFFFAOYSA-N
- SMILES： FC1C=C(C=C(C=1)CNCCC)F
Computed Properties
- Exact Mass: 185.101606
- Monoisotopic Mass: 185.101606
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 12
- XLogP3: 2.4
Experimental Properties
- Density: 1.073
- Boiling Point: 205.4°C at 760 mmHg
- Flash Point: 78°C
- Refractive Index: 1.475
N-(3,5-difluorobenzyl)propan-1-amine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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