(R)-3-(1-Aminoethyl)-2-methylbenzonitrile
Basic information
- CAS
1336454-90-0- Standard SMILES
Cc1c(C#N)cccc1[C@@H](C)N- InChIKey
YTEBMMMMLOOMBA-MRVPVSSYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
Names & identifiers
- Preferred name
- (R)-3-(1-Aminoethyl)-2-methylbenzonitrile
- IUPAC
- 3-[(1R)-1-aminoethyl]-2-methylbenzonitrile
- English name
- Benzonitrile, 3-[(1R)-1-aminoethyl]-2-methyl-
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
(R)-3-(1-Aminoethyl)-2-methylbenzonitrile1336454-90-0MFCD204477813-[(1R)-1-AMINOETHYL]-2-METHYLBENZONITRILEBenzonitrile, 3-[(1R)-1-aminoethyl]-2-methyl-MRTX0902 ImpurityMRTX0902 Impurity 1SCHEMBL23526257SCHEMBL29946019AT36241SY295044DB-394261
Show more names
(R)-3-(1-aminoethyl)-2-methylbenzonitrile hydrochloride
(S)-6-(1-aminoethyl)-2,3-dimethoxyphenolCS-04354323-[(1R)-1-aminoethyl]-2-methyl-benzonitrileF763733(R)-3-(1-Aminoethyl)-2-methylbenzonitrile - [A91033]
Database identifiers
- CAS
1336454-90-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 273.9 · 273.9±28.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.77 · 8.77±0.10(Predicted)
- Appearance
- Light yellow to brown Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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