Basic information
- CAS
6950-79-4- Standard SMILES
CNc1ccc(C(C)C)cc1- InChIKey
RQZGOIJRSJWNRB-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Names & identifiers
- Preferred name
- Aniline, p-isopropyl-N-methyl-
- IUPAC
- N-methyl-4-propan-2-ylaniline
- English name
- 4-isopropyl-N-methylbenzenamine
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
6950-79-4N-methyl-4-(propan-2-yl)anilineAniline, p-isopropyl-N-methyl-4-ISOPROPYL-N-METHYLANILINEN-Methyl-p-cumidineNSC65614NCIOpen2_0000314-isopropyl-N-methyl-anilineN-methyl-4-isopropyl anilineSCHEMBL170685SCHEMBL2096378SCHEMBL5828331
Show more names
4-isopropyl-N-methylbenzenamineBenzenamine, N-methyl-4-(1-methylethyl)-
Aniline, p-isopropyl-N-methyl-,DTXSID20219738MFCD03030401NSC 65614NSC-65614AKOS000255051CS-0274942EN300-107483
Database identifiers
- CAS
6950-79-4- PubChem CID
- 138880
- DTXSID
DTXSID20219738
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 1.08 °C · 1.08°C (estimate)
- Boiling point
- 240.76 °C · 240.76°C (estimate)
- Density
- 0.9529 · 0.9529 (estimate)
- refractive index
- 1.5134 · 1.5134 (estimate)
Chemistry & industry
Suppliers4 total
阳谷荣科商贸有限公司15863541132 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
11 records
Compound notes
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