Basic information
- CAS
1217462-02-6- Standard SMILES
Cc1cc([C@@H](C)N)ccc1Cl- InChIKey
ZZOSBFSBUHOOTJ-SSDOTTSWSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
Names & identifiers
- Preferred name
- (R)-1-(4-Chloro-3-methylphenyl)ethanamine
- IUPAC
- (1R)-1-(4-chloro-3-methylphenyl)ethanamine
- English name
- (R)-1-(4-Chloro-3-methylphenyl)ethanamine
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
(R)-1-(4-CHLORO-3-METHYLPHENYL)ETHANAMINE1217462-02-6(1R)-1-(4-chloro-3-methylphenyl)ethan-1-amineMFCD06762347SCHEMBL13075535AKOS015840213SY384442(1R)-1-(4-chloro-3-methyl-phenyl)ethanamineF16962(R)-1-(4-chloro-3-methylphenyl)ethan-1-amineEN300-1984991F538642
Show more names
Benzenemethanamine, 4-chloro-α,3-dimethyl-, (αR)-
(1R)-1-(4-CHLORO-3-METHYLPHENYL)ETHANAMINE
Database identifiers
- CAS
1217462-02-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 245.2 · 245.2±25.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 8.86 · 8.86±0.10(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
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
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
Chemistry & industry
Suppliers3 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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