Cas no 918812-01-8 (Benzenemethanamine, 3-methyl-2-(1-methylethoxy)-)
918812-01-8 structure
Product Name:Benzenemethanamine, 3-methyl-2-(1-methylethoxy)-
CAS No:918812-01-8
MF:C11H17NO
MW:179.258783102036
CID:770649
PubChem ID:58788883
Update Time:2025-04-19
Benzenemethanamine, 3-methyl-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 3-methyl-2-(1-methylethoxy)-
- (3-methyl-2-propan-2-yloxyphenyl)methanamine
- 1-{3-Methyl-2-[(propan-2-yl)oxy]phenyl}methanamine
- A1-05260
- SCHEMBL14009255
- DTXSID70730049
- 918812-01-8
-
- Inchi： 1S/C11H17NO/c1-8(2)13-11-9(3)5-4-6-10(11)7-12/h4-6,8H,7,12H2,1-3H3
- InChI Key： UKJUAEMUDUGJSO-UHFFFAOYSA-N
- SMILES： O(C(C)C)C1C(C)=CC=CC=1CN
Computed Properties
- Exact Mass: 179.131014166g/mol
- Monoisotopic Mass: 179.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- 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
- XLogP3: 1.9
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- Density: 1.0±0.1 g/cm3
- Boiling Point: 261.7±25.0 °C at 760 mmHg
- Flash Point: 104.2±16.4 °C
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
Benzenemethanamine, 3-methyl-2-(1-methylethoxy)- Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Benzenemethanamine, 3-methyl-2-(1-methylethoxy)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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