Cyclopropyl(3-methylphenyl)methanamine
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Basic information
- CAS
535925-72-5- Standard SMILES
Cc1cccc(C(N)C2CC2)c1- InChIKey
JCHKGNDBHAFTHC-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- Cyclopropyl(3-methylphenyl)methanamine
- IUPAC
- cyclopropyl-(3-methylphenyl)methanamine
- English name
- CYCLOPROPYL(3-METHYLPHENYL)METHANAMINE
- Molecular formula
- C11H15N
- Molecular weight
- 161.2435
Names & synonyms
535925-72-5Cyclopropyl(m-tolyl)methanamineCYCLOPROPYL(3-METHYLPHENYL)METHANAMINESCHEMBL6171130DTXSID001262340AKOS010037100DB-3190301-Cyclopropyl-1-(3-methylphenyl)methanamineBenzenemethanamine, I+/--cyclopropyl-3-methyl-Benzenemethanamine, α-cyclopropyl-3-methyl-
Database identifiers
- CAS
535925-72-5- PubChem CID
- 3936837
- DTXSID
DTXSID001262340
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 254.6 · 254.6±9.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 9.36 · 9.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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